Basic information
- CAS
4147-05-1- Standard SMILES
CC12CCC3c4c(O)cc(O)cc4CCC3C1CC[C@@H]2O- InChIKey
BSBWEXLXIOSMDG-IEKYFPHUSA-N- Molecular formula
- C18H24O3
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.17254462
Names & identifiers
- Preferred name
- Estra-1(10),2,4-triene-1,3,17-triol
- IUPAC
- (17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,3,17-triol
Names & synonyms
Estra-1(10),2,4-triene-1,3,17-triolDTXSID309617314147-05-1AKOS032962499Estra-1(10),2,4-triene-1,3,17beta-triol
Database identifiers
- CAS
4147-05-1- PubChem CID
- 20100
- DTXSID
DTXSID30961731
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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