Revalor
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Basic information
- CAS
39450-18-5- Standard SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O- InChIKey
QEIXJGGCWUIRNP-ZPUUBZGTSA-N- Molecular formula
- C38H48O5
- Average molar mass
- 584.8 g/mol
- Monoisotopic mass
- 584.35017463
Names & identifiers
- Preferred name
- Revalor
- IUPAC
- (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- English name
- Revalor
- Molecular formula
- C38H48O5
- Molecular weight
- 584.8
Names & synonyms
Revalor39450-18-5DTXSID60960090(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate3-Oxoestra-4,9,11-trien-17-yl acetate--estra-1(10),2,4-triene-3,17-diol (1/1)3-Oxoestra-4,9,11-trien-17beta-yl acetate--estra-1(10),2,4-triene-3,17beta-diol (1/1)Estra-4,9,11-trien-3-one, 17-(acetyloxy)-, (17beta)-, mixt. with (17beta)-estra-1,3,5(10)-triene-3,17-diol
Database identifiers
- CAS
39450-18-5- PubChem CID
- 170209
- DTXSID
DTXSID60960090
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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