Found 3 records.
Displayed records from 1 to 3
Expand all records
Collapse all records
Show all as text (SweetDB notation)
Show all graphically (SNFG notation)
Mathias L, Vieira I, Braz-Filho R, Rodrigues-Filho E
Novel 11α-O-β-D-glucopyranosylrotenoid isolated from Clitoria fairchildiana
Natural Product Letters 11(2) (1998)
119-126
|
b-D-Glcp-(1-11)-Subst
Subst = rel-5-deoxy-(2R,3R,11S)-clitoriacetal = SMILES COc4ccc3C(=O){3}[C@@]2(O)c1cc(OC)c(OC)cc1O{11}[C@@H](O)C2Oc3c4 |
Show graphically |
Clitoria fairchildiana
(NCBI TaxID 560020,
species name lookup)
Taxonomic group: plant / Streptophyta
(Phylum: Streptophyta)
Organ / tissue: seed
The structure was elucidated in this paperPublication DOI: 10.1080/10575639808041207Journal NLM ID: 9315615Publisher: Taylor & Francis Health Sciences
Institutions: Setor de Quimica de Produtos Naturais, Campos, Rio de Janeiro, Brazil, Departamento de Química, Universidade Federal de São Carlos, São Paulo, Brazil
The new 11α-O-β-D-glucopyranosylrotenoid (1) has been isolated from the seeds of a specimen of Clitoria fairchildiana. The structure was established from spectrometric data, including 2D NMR experiments.
Fabaceae, Clitoria fairchildiana, rotenoid glycoside, spectral data
Structure type: monomer
C
25H
28O
13Location inside paper: p. 121, Scheme, compound 1, table 1, table 2
Compound class: glycoside
Contained glycoepitopes: IEDB_142488,IEDB_146664,IEDB_983931,SB_192
Methods: 13C NMR, 1H NMR, EI-MS, HMBC, HMQC, DEPT, COSY, PND
Related record ID(s): 63512, 63756
NCBI Taxonomy refs (TaxIDs): 560020
Show glycosyltransferases
NMR conditions: in CD3OD
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16 C17 C18 C19
11 bDGlcp 101.52 74.74 77.74 71.24 78.25 62.48
Subst 79.11 71.63 192.03 129.96 111.66 168.28 101.52 163.02 113.19 94.65 109.91 149.28 101.99 152.67 145.33 110.87 56.34 56.34 56.88
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
11 bDGlcp 4.90 3.44 3.37 3.24 3.28 3.61-3.78
Subst 4.7 - - 7.76 6.60 - 6.95 - - 5.85 - - 6.62 - - 6.73 3.57 3.65 3.67
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8 C9/H9 C10/H10 C11/H11 C12/H12 C13/H13 C14/H14 C15/H15 C16/H16 C17/H17 C18/H18 C19/H19
11 bDGlcp 101.52/4.90 74.74/3.44 77.74/3.37 71.24/3.24 78.25/3.28 62.48/3.61-3.78
Subst 79.11/4.7 129.96/7.76 111.66/6.60 101.52/6.95 94.65/5.85 101.99/6.62 110.87/6.73 56.34/3.57 56.34/3.65 56.88/3.67
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 | H10 | H11 | H12 | H13 | H14 | H15 | H16 | H17 | H18 | H19 |
|---|
| 11 | bDGlcp | 4.90 | 3.44 | 3.37 | 3.24 | 3.28 | 3.61
3.78 | |
| | Subst | 4.7 |
|
| 7.76 | 6.60 |
| 6.95 |
|
| 5.85 |
|
| 6.62 |
|
| 6.73 | 3.57 | 3.65 | 3.67 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 | C9 | C10 | C11 | C12 | C13 | C14 | C15 | C16 | C17 | C18 | C19 |
|---|
| 11 | bDGlcp | 101.52 | 74.74 | 77.74 | 71.24 | 78.25 | 62.48 | |
| | Subst | 79.11 | 71.63 | 192.03 | 129.96 | 111.66 | 168.28 | 101.52 | 163.02 | 113.19 | 94.65 | 109.91 | 149.28 | 101.99 | 152.67 | 145.33 | 110.87 | 56.34 | 56.34 | 56.88 |
|
There is only one chemically distinct structure:
Expand this record
Collapse this record
Mathias L, Vieira I, Braz-Filho R, Rodrigues-Filho E
Novel 11α-O-β-D-glucopyranosylrotenoid isolated from Clitoria fairchildiana
Natural Product Letters 11(2) (1998)
119-126
|
b-D-Glcp2Ac3Ac4Ac6Ac-(1-11)-Subst
Subst = rel-5-deoxy-(2R,3R,11S)-clitoriacetal = SMILES COc4ccc3C(=O){3}[C@@]2(O)c1cc(OC)c(OC)cc1O{11}[C@@H](O)C2Oc3c4 |
Show graphically |
Clitoria fairchildiana
(NCBI TaxID 560020,
species name lookup)
Taxonomic group: plant / Streptophyta
(Phylum: Streptophyta)
Organ / tissue: seed
The structure was elucidated in this paperPublication DOI: 10.1080/10575639808041207Journal NLM ID: 9315615Publisher: Taylor & Francis Health Sciences
Institutions: Setor de Quimica de Produtos Naturais, Campos, Rio de Janeiro, Brazil, Departamento de Química, Universidade Federal de São Carlos, São Paulo, Brazil
The new 11α-O-β-D-glucopyranosylrotenoid (1) has been isolated from the seeds of a specimen of Clitoria fairchildiana. The structure was established from spectrometric data, including 2D NMR experiments.
Fabaceae, Clitoria fairchildiana, rotenoid glycoside, spectral data
Structure type: monomer
Location inside paper: p. 121, Scheme, compound 1a, table 2
Compound class: glycoside
Contained glycoepitopes: IEDB_142488,IEDB_146664,IEDB_983931,SB_192,SB_61
Methods: 13C NMR, 1H NMR, EI-MS, HMBC, HMQC, DEPT, COSY, PND
Comments, role: product of acetylation of ID: 62033
Related record ID(s): 62033, 63756
NCBI Taxonomy refs (TaxIDs): 560020
Show glycosyltransferases
NMR conditions: in CDCl3
[as TSV]
13C NMR data:
missing...
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
11,2 Ac - 2.04-2.15
11,3 Ac - 2.04-2.15
11,4 Ac - 2.04-2.15
11,6 Ac - 2.04-2.15
11 bDGlcp 5.19 5.15 5.33 5.21 3.84 4.13-4.31
Subst 4.65 - - 7.82 6.59 - 6.38 - - 5.73 - - 6.54 - - 6.52 3.72 3.79 3.84
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 | H10 | H11 | H12 | H13 | H14 | H15 | H16 | H17 | H18 | H19 |
|---|
| 11,2 | Ac |
| 2.04
2.15 | |
| 11,3 | Ac |
| 2.04
2.15 | |
| 11,4 | Ac |
| 2.04
2.15 | |
| 11,6 | Ac |
| 2.04
2.15 | |
| 11 | bDGlcp | 5.19 | 5.15 | 5.33 | 5.21 | 3.84 | 4.13
4.31 | |
| | Subst | 4.65 |
|
| 7.82 | 6.59 |
| 6.38 |
|
| 5.73 |
|
| 6.54 |
|
| 6.52 | 3.72 | 3.79 | 3.84 |
|
There is only one chemically distinct structure:
Expand this record
Collapse this record
Mathias L, Vieira I, Braz-Filho R, Rodrigues-Filho E
Novel 11α-O-β-D-glucopyranosylrotenoid isolated from Clitoria fairchildiana
Natural Product Letters 11(2) (1998)
119-126
|
b-D-Glcp2Ac3Ac4Ac6Ac-(1-11)-Subst3Ac
Subst = rel-5-deoxy-(2R,3R,11S)-clitoriacetal = SMILES COc4ccc3C(=O){3}[C@@]2(O)c1cc(OC)c(OC)cc1O{11}[C@@H](O)C2Oc3c4 |
Show graphically |
Clitoria fairchildiana
(NCBI TaxID 560020,
species name lookup)
Taxonomic group: plant / Streptophyta
(Phylum: Streptophyta)
Organ / tissue: seed
The structure was elucidated in this paperPublication DOI: 10.1080/10575639808041207Journal NLM ID: 9315615Publisher: Taylor & Francis Health Sciences
Institutions: Setor de Quimica de Produtos Naturais, Campos, Rio de Janeiro, Brazil, Departamento de Química, Universidade Federal de São Carlos, São Paulo, Brazil
The new 11α-O-β-D-glucopyranosylrotenoid (1) has been isolated from the seeds of a specimen of Clitoria fairchildiana. The structure was established from spectrometric data, including 2D NMR experiments.
Fabaceae, Clitoria fairchildiana, rotenoid glycoside, spectral data
Structure type: monomer
Location inside paper: p. 121, Scheme, compound 1b, table 2
Contained glycoepitopes: IEDB_142488,IEDB_146664,IEDB_983931,SB_192,SB_61
Methods: 13C NMR, 1H NMR, EI-MS, HMBC, HMQC, DEPT, COSY, PND
Comments, role: product of acetylation of ID: 62033
Related record ID(s): 62033, 63512
NCBI Taxonomy refs (TaxIDs): 560020
Show glycosyltransferases
NMR conditions: in CDCl3
[as TSV]
13C NMR data:
missing...
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
11,2 Ac - 2.04-2.16
11,3 Ac - 2.04-2.16
11,4 Ac - 2.04-2.16
11,6 Ac - 2.04-2.16
11 bDGlcp 5.16 5.11 5.32 5.17 3.83 4.18-4.27
3 Ac - 2.04-2.16
Subst 5.46 - - 7.84 6.59 - 6.39 - - 5.60 - - 6.52 - - 6.88 3.78 3.80 3.86
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 | H10 | H11 | H12 | H13 | H14 | H15 | H16 | H17 | H18 | H19 |
|---|
| 11,2 | Ac |
| 2.04
2.16 | |
| 11,3 | Ac |
| 2.04
2.16 | |
| 11,4 | Ac |
| 2.04
2.16 | |
| 11,6 | Ac |
| 2.04
2.16 | |
| 11 | bDGlcp | 5.16 | 5.11 | 5.32 | 5.17 | 3.83 | 4.18
4.27 | |
| 3 | Ac |
| 2.04
2.16 | |
| | Subst | 5.46 |
|
| 7.84 | 6.59 |
| 6.39 |
|
| 5.60 |
|
| 6.52 |
|
| 6.88 | 3.78 | 3.80 | 3.86 |
|
There is only one chemically distinct structure:
Expand this record
Collapse this record
Total list of record IDs on all result pages of the current query:
Execution: 7 sec
report error