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17-.beta.-Acetoxy-3-[1',2'-diphenylethenyl]androsta-3,5-diene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

17-.beta.-Acetoxy-3-[1',2'-diphenylethenyl]androsta-3,5-diene
SpectraBase Compound ID 4xJwpbyYgAC
InChI InChI=1S/C35H40O2/c1-24(36)37-33-17-16-31-29-15-14-28-23-27(18-20-34(28,2)32(29)19-21-35(31,33)3)30(26-12-8-5-9-13-26)22-25-10-6-4-7-11-25/h4-14,22-23,29,31-33H,15-21H2,1-3H3/b30-22+/t29-,31-,32-,33-,34-,35-/m0/s1
InChIKey FCZOAQHEKDKXTP-MGPYUMRWSA-N
Mol Weight 492.7 g/mol
Molecular Formula C35H40O2
Exact Mass 492.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOh1VIoisQM
Name 17-.beta.-Acetoxy-3-[1',2'-diphenylethenyl]androsta-3,5-diene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40O2
InChI InChI=1S/C35H40O2/c1-24(36)37-33-17-16-31-29-15-14-28-23-27(18-20-34(28,2)32(29)19-21-35(31,33)3)30(26-12-8-5-9-13-26)22-25-10-6-4-7-11-25/h4-14,22-23,29,31-33H,15-21H2,1-3H3/b30-22+/t29-,31-,32-,33-,34-,35-/m0/s1
InChIKey FCZOAQHEKDKXTP-MGPYUMRWSA-N
Molecular Weight 492.703 g/mol
SMILES [C@@]12(C(C=C(CC2)\C(=C\c2ccccc2)c2ccccc2)=CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(OC(=O)C)[H])[H])[H])C
SPLASH splash10-0006-0000900000-88ff79235f2abf4d5105
Source of Spectrum U1-1999-3309-3
Synonyms (17beta)-3-[(Z)-1,2-diphenylethenyl]androsta-3,5-dien-17-yl acetate acetic acid[(8R,9S,10R,13S,14S,17S)-3-[(Z)-1,2-diphenylethenyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ester acetic acid[(8R,9S,10R,13S,14S,17S)-3-[(Z)-1,2-diphenylvinyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ester [(8R,9S,10R,13S,14S,17S)-3-[(Z)-1,2-diphenylethenyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate [(8R,9S,10R,13S,14S,17S)-3-[(Z)-1,2-diphenylethenyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoate [(8R,9S,10R,13S,14S,17S)-3-[(Z)-1,2-diphenylvinyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate acetic acid [(8R,9S,10R,13S,14S,17S)-3-[(Z)-1,2-diphenylethenyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester [(8R,9S,10R,13S,14S,17S)-3-[(Z)-1,2-diphenylethenyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,10R,13S,14S,17S)-3-[(Z)-1,2-diphenylvinyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,10R,13S,14S,17S)-3-[(Z)-1,2-diphenylethenyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
Wiley ID 753550