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(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,5-diol
SpectraBase Compound ID 9nJoe0bNLLf
InChI InChI=1S/C33H52O2/c1-22(2)10-9-11-23(3)27-14-15-28-25-16-19-33(35)20-26(24-12-7-6-8-13-24)30(34)21-32(33,5)29(25)17-18-31(27,28)4/h6-8,12-13,22-23,25-30,34-35H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,30-,31-,32-,33-/m1/s1
InChIKey DRWMTGJTIXLEAT-SEUHFDEDSA-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 CL2IgUI5KxD
Name (2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H52O2
InChI InChI=1S/C33H52O2/c1-22(2)10-9-11-23(3)27-14-15-28-25-16-19-33(35)20-26(24-12-7-6-8-13-24)30(34)21-32(33,5)29(25)17-18-31(27,28)4/h6-8,12-13,22-23,25-30,34-35H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,30-,31-,32-,33-/m1/s1
InChIKey DRWMTGJTIXLEAT-SEUHFDEDSA-N
Molecular Weight 480.777 g/mol
SMILES O[C@@]1(C[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@@]2([C@](CC[C@@]32[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])(C[C@]1(c1ccccc1)[H])O)C)[H]
SPLASH splash10-03di-0000900000-34290d442368d98cadad
Source of Spectrum J-62-2979-12
Synonyms (2R,3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-3-phenyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,5-diol
Wiley ID 1395341