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(3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5-diol

View entire compound with spectra: 1 MS (GC)

(3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5-diol
SpectraBase Compound ID 6JXkQgRa5p0
InChI InChI=1S/C33H52O2/c1-23(2)10-9-11-24(3)27-14-15-28-26-16-19-33(35)22-32(34,25-12-7-6-8-13-25)21-20-31(33,5)29(26)17-18-30(27,28)4/h6-8,12-13,23-24,26-29,34-35H,9-11,14-22H2,1-5H3/t24-,26+,27-,28+,29+,30-,31-,32+,33-/m1/s1
InChIKey MRNLOMWMZAALBG-OXLKHHLJSA-N
Mol Weight 480.8 g/mol
Molecular Formula C33H52O2
Exact Mass 480.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZVzYnSkMxT
Name (3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H52O2
InChI InChI=1S/C33H52O2/c1-23(2)10-9-11-24(3)27-14-15-28-26-16-19-33(35)22-32(34,25-12-7-6-8-13-25)21-20-31(33,5)29(26)17-18-30(27,28)4/h6-8,12-13,23-24,26-29,34-35H,9-11,14-22H2,1-5H3/t24-,26+,27-,28+,29+,30-,31-,32+,33-/m1/s1
InChIKey MRNLOMWMZAALBG-OXLKHHLJSA-N
Molecular Weight 480.777 g/mol
SMILES O[C@]1(CC[C@]2([C@@](CC[C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])(C1)O)C)c1ccccc1
SPLASH splash10-03ec-0000900000-3cb54a543b1faaabfacd
Source of Spectrum J-59-4397-9
Synonyms (3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-3-phenyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5-diol
Wiley ID 1395339