(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-ol
Basic information
- CAS
22338-60-9- Standard SMILES
C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@]1(C)O[C@@H]13- InChIKey
BDWKHKXSYDEDRO-RJCCPDKISA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
Names & identifiers
- Preferred name
- (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-ol
- 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-ol
- English name
- (15R)-15,16-Epoxykaurane-7β,19-diol
- Molecular formula
- C20H32O3
- Molecular weight
- 320.46628
Names & synonyms
Sideroxol15α,16α-Epoxykaurane-7β,19-diol(15R)-15,16-Epoxykaurane-7β,19-diol
Database identifiers
- CAS
22338-60-9- Nikkaji
- J15.847J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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