(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-ol
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Basic information
- CAS
6060-05-5- Standard SMILES
CC1(C)CC[C@]2(CO)C=C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
JYIGMRUPJXHQQZ-OSQDELBUSA-N- Molecular formula
- C30H48O2
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.36543077
Overview
Egiceradiol has been reported in Aegiceras corniculatum with data available.
Names & identifiers
- Preferred name
- (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-ol
- IUPAC
- (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-ol
- English name
- Oleana-12,15-diene-3β,28-diol
- Molecular formula
- C30H48O2
- Molecular weight
- 440.70092
Names & synonyms
EgiceradiolAegiceradiolOleana-12,15-diene-3β,28-diol
Database identifiers
- CAS
6060-05-5- PubChem CID
- 15558421
- Nikkaji
- J15.244G
Properties
Computed structural propertiesFilling in
- XLogP
- 7.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 851
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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