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(8S,9S,10R,11S,13S,14S,17Z)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 3494-53-9]

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CAS#: 3494-53-9
Product: (8S,9S,10R,11S,13S,14S,17Z)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
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Identification
Name (8S,9S,10R,11S,13S,14S,17Z)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
Synonyms Nsc9124; 11-Beta,21-Dihydroxypregna-4,17(20)-Dien-3-One; Diendiol
Molecular Structure CAS#: 3494-53-9, (8S,9S,10R,11S,13S,14S,17Z)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
Molecular Formula C21H30O3
Molecular Weight 330.47
CAS Registry Number 3494-53-9
EINECS 222-489-1
SMILES [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@]\4([C@H]3CCC4=C/CO)C
InChI 1S/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21+/m0/s1
InChIKey SBMHTRUNPKWTLU-PKJGFKEFSA-N
Properties
Density 1.18g/cm3 (Cal.)
Boiling point 507.863°C at 760 mmHg (Cal.)
Flash point 275.036°C (Cal.)
Market Analysis Reports
List of Reports Available for (8S,9S,10R,11S,13S,14S,17Z)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
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