Bassic acid
Basic information
- CAS
465-01-0- Standard SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C5=CC[C@]43C)[C@@H]2C1- InChIKey
FJGGNIPUSLFYJJ-QJTVMKANSA-N- Molecular formula
- C30H46O5
- Average molar mass
- 486.7 g/mol
- Monoisotopic mass
- 486.33452456
Overview
Bassic acid is a triterpenoid.
Names & identifiers
- Preferred name
- Bassic acid
- IUPAC
- (4aS,6aS,6aS,6bR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid
Names & synonyms
Bassic acid465-01-0RefChem:916725(4aS,6aS,6aS,6bR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acidNCI60_034340SCHEMBL23408482beta,3beta,23-Trihydroxyoleana-5,12-dien-28-oic acidCHEMBL2003237DTXSID40963584CHEBI:167972NSC696121NSC-696121
Show more names
2,3,23-trihydroxyoleana-5,12-dien-28-oic acidOleana-5,12-dien-28-oic acid, 2,3,23-trihydroxy-, (2beta,3beta,4alpha)-
Database identifiers
- CAS
465-01-0- PubChem CID
- 160465
- DTXSID
DTXSID40963584- ChEMBL
CHEMBL2003237- ChEBI
CHEBI:167972- Nikkaji
- J11.337I
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 997
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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