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3-[1'-(3"-Methoxyphenyl)-2',2'-dimethylpropylidene]androsta-1,4-diene-17-one
SpectraBase Compound ID KaU69sqSuhe
InChI InChI=1S/C31H40O2/c1-29(2,3)28(20-8-7-9-23(19-20)33-6)21-14-16-30(4)22(18-21)10-11-24-25-12-13-27(32)31(25,5)17-15-26(24)30/h7-9,14,16,18-19,24-26H,10-13,15,17H2,1-6H3/b28-21+/t24-,25-,26-,30-,31-/m0/s1
InChIKey MPOKSNMFABYYGX-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 7DqfYoAgN8o
Name 3-[1'-(3"-Methoxyphenyl)-2',2'-dimethylpropylidene]androsta-1,4-diene-17-one
Alternate Name(s) 3-[1-(3-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(20-8-7-9-23(19-20)33-6)21-14-16-30(4)22(18-21)10-11-24-25-12-13-27(32)31(25,5)17-15-26(24)30/h7-9,14,16,18-19,24-26H,10-13,15,17H2,1-6H3/b28-21+/t24-,25-,26-,30-,31-/m0/s1
InChIKey MPOKSNMFABYYGX-QXDSORMHSA-N
Molecular Weight 444.659 g/mol
SMILES [C@@]12(C(=C\C(C=C2)=C/(c2cc(OC)ccc2)C(C)(C)C)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H])C
SPLASH splash10-00mx-0354900000-a9303df3c051fc72a98a
Source of Spectrum U-1997-615-3
Wiley ID 769615