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Basic information
- CAS
168010-06-8- Standard SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@H](OCC(=O)O)[C@H](O)C(=O)O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
FHMLSFRFOXEUGU-YPXCEIQUSA-N- Molecular formula
- C41H62O15
- Average molar mass
- 794.932 g/mol
- Monoisotopic mass
- 794.40887128
Names & identifiers
- Preferred name
- Betavulgaroside IV
- IUPAC
- 28-Hydroxy-28-oxoolean-12-en-3beta-yl 3-O-[(1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-beta-D-glucopyranosiduronic acid
- English name
- β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl 3-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-
- Molecular formula
- C41H62O15
- Molecular weight
- 794.92
Names & synonyms
Betavulgaroside IVβ-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl 3-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-
Database identifiers
- CAS
168010-06-8- PubChem CID
- 178116
- DTXSID
DTXSID40937427- ChEBI
CHEBI:176321
Properties
Physicochemical properties
- Boiling point
- 951.9 · 951.9±65.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 2.72 · 2.72±0.70(Predicted)
Chemistry & industry
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Betavulgaroside IV is a triterpenoid saponin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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