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3-[(3'-Methoxyphenyl)phenylmethylene]androsta-1,4-dien-17-one
SpectraBase Compound ID ppSagYLieD
InChI InChI=1S/C33H36O2/c1-32-18-16-24(31(22-8-5-4-6-9-22)23-10-7-11-26(21-23)35-3)20-25(32)12-13-27-28-14-15-30(34)33(28,2)19-17-29(27)32/h4-11,16,18,20-21,27-29H,12-15,17,19H2,1-3H3/b31-24+/t27-,28-,29-,32-,33-/m0/s1
InChIKey WLUUFAIMBRBHAP-AJOWJIQRSA-N
Mol Weight 464.6 g/mol
Molecular Formula C33H36O2
Exact Mass 464.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KljhCskSyiK
Name 3-[(3'-Methoxyphenyl)phenylmethylene]androsta-1,4-dien-17-one
Alternate Name(s) 3-[(3-methoxyphenyl)(phenyl)methylene]androsta-1,4-dien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36O2
InChI InChI=1S/C33H36O2/c1-32-18-16-24(31(22-8-5-4-6-9-22)23-10-7-11-26(21-23)35-3)20-25(32)12-13-27-28-14-15-30(34)33(28,2)19-17-29(27)32/h4-11,16,18,20-21,27-29H,12-15,17,19H2,1-3H3/b31-24+/t27-,28-,29-,32-,33-/m0/s1
InChIKey WLUUFAIMBRBHAP-AJOWJIQRSA-N
Molecular Weight 464.649 g/mol
SMILES [C@@]12(C(=C\C(C=C2)=C\(c2cc(OC)ccc2)c2ccccc2)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H])C
SPLASH splash10-0gvt-0125900000-fc2876500be328234064
Source of Spectrum U-1997-614-3
Wiley ID 769619