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3-[(3',4',5'-Trimethoxyphenyl)methylene]androsta-1,4-dien-17-one
SpectraBase Compound ID GwvsrGc9Al7
InChI InChI=1S/C29H36O4/c1-28-12-10-18(14-19-16-24(31-3)27(33-5)25(17-19)32-4)15-20(28)6-7-21-22-8-9-26(30)29(22,2)13-11-23(21)28/h10,12,14-17,21-23H,6-9,11,13H2,1-5H3/b18-14+/t21-,22-,23-,28-,29-/m0/s1
InChIKey HVLKPSKDDJQTIC-CBDAHESISA-N
Mol Weight 448.6 g/mol
Molecular Formula C29H36O4
Exact Mass 448.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbYMxtDRlh9
Name 3-[(3',4',5'-Trimethoxyphenyl)methylene]androsta-1,4-dien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36O4
InChI InChI=1S/C29H36O4/c1-28-12-10-18(14-19-16-24(31-3)27(33-5)25(17-19)32-4)15-20(28)6-7-21-22-8-9-26(30)29(22,2)13-11-23(21)28/h10,12,14-17,21-23H,6-9,11,13H2,1-5H3/b18-14+/t21-,22-,23-,28-,29-/m0/s1
InChIKey HVLKPSKDDJQTIC-CBDAHESISA-N
Molecular Weight 448.603 g/mol
SMILES [C@@]12(C(=C\C(C=C2)=C\c2cc(OC)c(c(c2)OC)OC)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H])C
SPLASH splash10-000t-0000900000-44bb4734f553abdeb493
Source of Spectrum U-1997-614-3
Synonyms 3-(3,4,5-trimethoxybenzylidene)androsta-1,4-dien-17-one
Wiley ID 769621