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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(4-methylphenyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

View entire compound with spectra: 1 MS (GC)

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(4-methylphenyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID FO8hfM93K9E
InChI InChI=1S/C34H52/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-14-28-22-27(26-12-10-24(3)11-13-26)18-20-33(28,5)32(29)19-21-34(30,31)6/h10-14,23,25,27,29-32H,7-9,15-22H2,1-6H3/t25-,27+,29+,30-,31+,32+,33+,34-/m1/s1
InChIKey MOERUUBQWGBFMC-CRQOXBRUSA-N
Mol Weight 460.8 g/mol
Molecular Formula C34H52
Exact Mass 460.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ViACfgEUZJ
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(4-methylphenyl)-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 C34H52
InChI InChI=1S/C34H52/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-14-28-22-27(26-12-10-24(3)11-13-26)18-20-33(28,5)32(29)19-21-34(30,31)6/h10-14,23,25,27,29-32H,7-9,15-22H2,1-6H3/t25-,27+,29+,30-,31+,32+,33+,34-/m1/s1
InChIKey MOERUUBQWGBFMC-CRQOXBRUSA-N
Molecular Weight 460.790 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](c2ccc(cc2)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-08fs-0201900000-ff11512968046d77f7e6
Source of Spectrum SK-28-1445-7
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-3-(p-tolyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 868292