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Basic information
- Standard SMILES
C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)C[C@H]2O[C@]21C- InChIKey
ZHBSMFWWAZGXHE-BMJWJMHVSA-N- Molecular formula
- C30H50O3
- Average molar mass
- 458.7 g/mol
- Monoisotopic mass
- 458.37599545
Names & identifiers
- Preferred name
- Faradiol alpha-epoxide
- IUPAC
- (1R,2R,5R,7S,10R,11R,14R,15R,16S,17S,19R,21S,22S)-1,2,6,6,10,16,17,21-octamethyl-18-oxahexacyclo[12.9.0.02,11.05,10.015,21.017,19]tricosane-7,22-diol
Names & synonyms
Faradiol .alpha.-epoxideCHEMBL1989556NSC705535NSC-705535NCI60_037646(20R,21-Epoxytaraxastane-3.beta.,16.beta.-diol
Database identifiers
- PubChem CID
- 397487
- ChEMBL
CHEMBL1989556
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 853
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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