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3.beta.-(3',4',5'-Trimethoxyphenyl)cholest-5-ene

View entire compound with spectra: 1 MS (GC)

3.beta.-(3',4',5'-Trimethoxyphenyl)cholest-5-ene
SpectraBase Compound ID DXbCs47oxg3
InChI InChI=1S/C36H56O3/c1-23(2)10-9-11-24(3)29-15-16-30-28-13-12-26-22-25(18-20-35(26,4)31(28)19-21-36(29,30)5)27-14-17-32(37-6)34(39-8)33(27)38-7/h12,14,17,23-25,28-31H,9-11,13,15-16,18-22H2,1-8H3/t24-,25+,28+,29-,30+,31+,35+,36-/m1/s1
InChIKey JFECGENLZOIVPO-QOJDSQSZSA-N
Mol Weight 536.8 g/mol
Molecular Formula C36H56O3
Exact Mass 536.422946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cbM3QYrz7L
Name 3.beta.-(3',4',5'-Trimethoxyphenyl)cholest-5-ene
Alternate Name(s) (3beta)-3-(3,4,5-trimethoxyphenyl)cholest-5-ene 3.beta.-(2',3',4'-Trimethoxyphenyl)cholest-5-ene (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(2,3,4-trimethoxyphenyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H56O3
InChI InChI=1S/C36H56O3/c1-23(2)10-9-11-24(3)29-15-16-30-28-13-12-26-22-25(18-20-35(26,4)31(28)19-21-36(29,30)5)27-14-17-32(37-6)34(39-8)33(27)38-7/h12,14,17,23-25,28-31H,9-11,13,15-16,18-22H2,1-8H3/t24-,25+,28+,29-,30+,31+,35+,36-/m1/s1
InChIKey JFECGENLZOIVPO-QOJDSQSZSA-N
Molecular Weight 536.841 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](c2c(c(OC)c(cc2)OC)OC)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0550-0470090000-c82d574eb75e1244b8f3
Source of Spectrum SK-28-1447-10
Wiley ID 868289