Basic information
- CAS
28413-82-3- Standard SMILES
CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@]4(O[C@@H]4C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
FEICVHTUVUPNSC-BSSSUIKASA-N- Molecular formula
- C30H50O2
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.38108083
Names & identifiers
- Preferred name
- 12,13beta-Epoxy-beta-amyrin
- IUPAC
- (1S,3R,5R,6R,9S,11R,14R,15S,18R,23R)-6,10,10,14,15,18,21,21-octamethyl-2-oxahexacyclo[13.8.0.01,3.05,14.06,11.018,23]tricosan-9-ol
- English name
- 12β,13-Epoxy-5α-oleanan-3β-ol
- Molecular formula
- C30H50O2
- Molecular weight
- 442.7168
Names & synonyms
12,13beta-epoxy-beta-amyrin12β,13-Epoxy-5α-oleanan-3β-ol
Database identifiers
- CAS
28413-82-3- PubChem CID
- 90658427
- Nikkaji
- J38.623E
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 831
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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