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Basic information
- 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]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
BQPYEFAVIPEQIK-CGCSGISQSA-N- Molecular formula
- C42H66O14
- Average molar mass
- 794.976 g/mol
- Monoisotopic mass
- 794.44525679
Names & identifiers
- Preferred name
- Spinasaponin A
- IUPAC
- 28-Hydroxy-28-oxoolean-12-en-3beta-yl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid
Database identifiers
- CAS
25406-56-8- PubChem CID
- 441951
- DTXSID
DTXSID60331685- ChEBI
CHEBI:9228- Nikkaji
- J193.317E
Related reactions
0 records
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Linked notes
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