Basic information
- Standard SMILES
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1- InChIKey
MDZKJHQSJHYOHJ-UHFFFAOYSA-N- Molecular formula
- C30H48O4
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.35526001
Overview
2,3-Dihydroxy-12-oleanen-28-oic acid has been reported in Perilla frutescens, Euonymus nanoides, and other organisms with data available.
Names & identifiers
- Preferred name
- 2,3-Dihydroxy-12-oleanen-28-oic acid
- IUPAC
- 10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Names & synonyms
2,3-Dihydroxy-12-oleanen-28-oic acidRefChem:105939210,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidbredemolic acid5957-40-42,3-dihydroxyolean-12-en-28-oic acid2alpha,3alpha-Dihydroxyolean-12-en-28-oic acidOlean-12-en-28-oic acid, 2alpha,3alpha-dihydroxy-orb1303769SCHEMBL23716504DTXSID70863386BBA56368
Show more names
s9040STL564445AKOS037623082LS-15296NS00018298B0005-177401(4aS,6aR,6aS,6bR,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Database identifiers
- PubChem CID
- 3694932
- DTXSID
DTXSID70863386- ChEMBL
CHEMBL577380
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 919
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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