Basic information
- CAS
7683-31-0- Standard SMILES
CC12CCC3c4cc(O)c(O)cc4CCC3C1CCC2O- InChIKey
DILDHNKDVHLEQB-UHFFFAOYSA-N- Molecular formula
- C18H24O3
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.17254462
Overview
See also: 2-Hydroxyestradiol (annotation moved to).
Names & identifiers
- Preferred name
- Estra-1(10),2,4-triene-2,3,17-triol
- IUPAC
- 13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol
Names & synonyms
estra-1(10),2,4-triene-2,3,17-triol7683-31-0DTXSID20859350RefChem:339749DTXCID302091451,3,5[10]-Estratriene-2,3-17 beta-triol13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol2,3,17 beta-Trihydroxy-1,3,5[10]-estratriene2-hydroxyestradiol-17 betaNCIOpen2_002733orb321960SCHEMBL13123058
Show more names
MFCD00010490ICX5609053DB-0489331,3,5(10)-Estratriene-2,3-17beta-triol
Database identifiers
- CAS
7683-31-0- PubChem CID
- 9684
- DTXSID
DTXSID20859350
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
1 records
Compound notes
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