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

View entire compound with spectra: 1 MS (GC)

(3R,5R,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,4,4,10,13-pentamethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
SpectraBase Compound ID DEjZPpGKBu4
InChI InChI=1S/C30H54O2/c1-19(2)10-9-11-20(3)21-12-13-22-26-23(14-15-28(21,22)6)29(7)16-17-30(8,32)27(4,5)25(29)18-24(26)31/h19-26,31-32H,9-18H2,1-8H3/t20-,21-,22+,23+,24+,25+,26+,28-,29-,30-/m1/s1
InChIKey VMTOZZLPKZKPCR-OMFWBRABSA-N
Mol Weight 446.8 g/mol
Molecular Formula C30H54O2
Exact Mass 446.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tDgNEXWhSZ
Name (3R,5R,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,4,4,10,13-pentamethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54O2
InChI InChI=1S/C30H54O2/c1-19(2)10-9-11-20(3)21-12-13-22-26-23(14-15-28(21,22)6)29(7)16-17-30(8,32)27(4,5)25(29)18-24(26)31/h19-26,31-32H,9-18H2,1-8H3/t20-,21-,22+,23+,24+,25+,26+,28-,29-,30-/m1/s1
InChIKey VMTOZZLPKZKPCR-OMFWBRABSA-N
Molecular Weight 446.760 g/mol
SMILES O[C@]1(C([C@]2([C@@]([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3([C@](C2)(O)[H])[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])(CC1)C)[H])(C)C)C
SPLASH splash10-0a4i-0209000000-99982e28a247ac17ed9a
Source of Spectrum J-61-864-11
Synonyms (3R,5R,7S,8S,9S,10R,13R,14S,17R)-3,4,4,10,13-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Wiley ID 1386851