(8alpha,9beta,13alpha,14beta)-Estra-1,3,5(10)-trien-3-ol
Basic information
- CAS
428506-99-4- Standard SMILES
C[C@]12CCC[C@@H]1[C@H]1CCc3cc(O)ccc3[C@@H]1CC2- InChIKey
HJKVPZJVBHWFCQ-WNRNVDISSA-N- Molecular formula
- C18H24O
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.18271539
Names & identifiers
- Preferred name
- (8alpha,9beta,13alpha,14beta)-Estra-1,3,5(10)-trien-3-ol
- IUPAC
- (8R,9R,13R,14R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Names & synonyms
DTXSID60858988(8alpha,9beta,13alpha,14beta)-Estra-1,3,5(10)-trien-3-ol428506-99-48alpha,9beta,13alpha,14beta-Estra-1(10),2,4-trien-3-ol
Database identifiers
- CAS
428506-99-4- PubChem CID
- 9856439
- DTXSID
DTXSID60858988- Nikkaji
- J2.448.729F
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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