Estroxide
Basic information
- CAS
472-56-0- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H]1O[C@H]12- InChIKey
XPXOJYZDBJGFEI-PNVOZDDCSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Names & identifiers
- Preferred name
- Estroxide
- IUPAC
- (1R,2S,4R,6S,7S,10S)-7-methyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),12,14-trien-14-ol
- English name
- Estroxide
- Molecular weight
- 0
Names & synonyms
Estroxide472-56-0214494O1DQVOMEROPHERIN16alpha,17alpha-Epoxy-1,3,5(10)-estratrien-3-olSCHEMBL1246972UNII-214494O1DQDTXSID00963767Estra-1,3,5(10)-trien-3-ol, 16,17-epoxy-, (16alpha,17alpha)-16,17-Epoxyestra-1(10),2,4-trien-3-olQ2725351516alpha,17alpha-16,17-Epoxyestra-1(10),2,4-trien-3-ol
Show more names
16α,17α-Epoxyestra-1,3,5(10)-trien-3-ol
Estra-1,3,5(10)-trien-3-ol, 16.alpha.,17.alpha.-epoxy-(16.ALPHA.,17.ALPHA.)-16,17-EPOXYESTRA-1,3,5(10)-TRIEN-3-OLEstra-1,3,5(10)-trien-3-ol, 16,17-epoxy-, (16.alpha.,17.alpha.)-
Database identifiers
- CAS
472-56-0- PubChem CID
- 94148
- DTXSID
DTXSID00963767- UNII
- 214494O1DQ
- Nikkaji
- J127.202K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- FDA UNII
- 214494 O1DQ · 214494O1DQ
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Related reactions
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Compound notes
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