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3-[1'-(4''-Methoxyphenyl)-2',2'-dimethylpropylidene]androsta-1,4-diene-17-one
SpectraBase Compound ID JhUmSWxifxO
InChI InChI=1S/C31H40O2/c1-29(2,3)28(20-7-10-23(33-6)11-8-20)21-15-17-30(4)22(19-21)9-12-24-25-13-14-27(32)31(25,5)18-16-26(24)30/h7-8,10-11,15,17,19,24-26H,9,12-14,16,18H2,1-6H3/b28-21+/t24-,25-,26-,30-,31-/m0/s1
InChIKey RVJHHBZTPNDQBV-QXDSORMHSA-N
Mol Weight 444.7 g/mol
Molecular Formula C31H40O2
Exact Mass 444.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6AsLLPQE6j
Name 3-[1'-(4''-Methoxyphenyl)-2',2'-dimethylpropylidene]androsta-1,4-diene-17-one
Alternate Name(s) 3-[1-(4-methoxyphenyl)-2,2-dimethylpropylidene]androsta-1,4-dien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40O2
InChI InChI=1S/C31H40O2/c1-29(2,3)28(20-7-10-23(33-6)11-8-20)21-15-17-30(4)22(19-21)9-12-24-25-13-14-27(32)31(25,5)18-16-26(24)30/h7-8,10-11,15,17,19,24-26H,9,12-14,16,18H2,1-6H3/b28-21+/t24-,25-,26-,30-,31-/m0/s1
InChIKey RVJHHBZTPNDQBV-QXDSORMHSA-N
Molecular Weight 444.659 g/mol
SMILES [C@@]12(C(=C\C(C=C2)=C\(C(C)(C)C)c2ccc(cc2)OC)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H])C
SPLASH splash10-000l-0102900000-91a5c84c6ac7e0cbbb08
Source of Spectrum U-1997-615-3
Wiley ID 769614