Epoxysiderol
Basic information
- CAS
22338-62-1- Standard SMILES
CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12[C@H]1O[C@@]31C- InChIKey
YSPZBZPFWJQSQN-SAFIEXBJSA-N- Molecular formula
- C22H34O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.24570956
Overview
Epoxysiderol is a kaurane diterpenoid.
Names & identifiers
- Preferred name
- Epoxysiderol
- IUPAC
- [(1R,2S,4S,5S,9R,10S,13R,14S,16R)-5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-yl] acetate
Names & synonyms
EpoxysiderolCHEBI:174852DTXSID501199669Kaurane-7,18-diol, 15,16-epoxy-, 7-acetate, (4I(2),7I(2),15I+/-)-[(1R,2S,4S,5S,9R,10S,13R,14S,16R)-5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-yl] acetate19-Hydroxy-5beta,8alpha,9beta,10alpha,13alpha,15alpha,16beta-15,16-epoxykauran-7beta-yl acetate22338-62-1
Database identifiers
- CAS
22338-62-1- PubChem CID
- 102445841
- DTXSID
DTXSID501199669- ChEBI
CHEBI:174852- Nikkaji
- J792.168C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 648
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Related reactions
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Compound notes
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