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3-[2',2'-Dimethyl-1'-phenylpropylidene]androsta-1,4-diene-17-one
SpectraBase Compound ID GS6pQrjv9i3
InChI InChI=1S/C30H38O/c1-28(2,3)27(20-9-7-6-8-10-20)21-15-17-29(4)22(19-21)11-12-23-24-13-14-26(31)30(24,5)18-16-25(23)29/h6-10,15,17,19,23-25H,11-14,16,18H2,1-5H3/b27-21+/t23-,24-,25-,29-,30-/m0/s1
InChIKey JOCBVRWGXRWTTL-RLGCSZJYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C30H38O
Exact Mass 414.292266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B27aXU6Vnge
Name 3-[2',2'-Dimethyl-1'-phenylpropylidene]androsta-1,4-diene-17-one
Alternate Name(s) 3-(2,2-dimethyl-1-phenylpropylidene)androsta-1,4-dien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38O
InChI InChI=1S/C30H38O/c1-28(2,3)27(20-9-7-6-8-10-20)21-15-17-29(4)22(19-21)11-12-23-24-13-14-26(31)30(24,5)18-16-25(23)29/h6-10,15,17,19,23-25H,11-14,16,18H2,1-5H3/b27-21+/t23-,24-,25-,29-,30-/m0/s1
InChIKey JOCBVRWGXRWTTL-RLGCSZJYSA-N
Molecular Weight 414.633 g/mol
SMILES [C@@]12(C(=C\C(C=C2)=C\(C(C)(C)C)c2ccccc2)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H])C
SPLASH splash10-0a4i-0936700000-397c90c90c1f6c10a9ba
Source of Spectrum U-1997-615-3
Wiley ID 769616