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Basic information
- CAS
58546-61-5- Standard SMILES
COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
XPORLJWHBRUXGD-HWIUFREPSA-N- Molecular formula
- C43H68O14
- Average molar mass
- 809.003 g/mol
- Monoisotopic mass
- 808.46090686
Names & identifiers
- Preferred name
- Chikusetsusaponin-IVa methyl ester
- IUPAC
- 1-O-{3beta-[(6-Methyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl}-beta-D-glucopyranose
Database identifiers
- CAS
58546-61-5- PubChem CID
- 637855
- DTXSID
DTXSID50348500- ChEMBL
CHEMBL1773984- ChEBI
CHEBI:67978- Nikkaji
- J525.038B
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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