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

View entire compound with spectra: 2 MS (GC)

(3S,5S,6S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
SpectraBase Compound ID HK7deLX6b4t
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h16-19,21-25,28-29H,6-15H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26-,27-/m1/s1
InChIKey IEWLYIHXEOOXNN-LHCAAIPHSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0VxNDD2CVX
Name (3S,5S,6S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Alternate Name(s) (3S,5S,6S,9R,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h16-19,21-25,28-29H,6-15H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26-,27-/m1/s1
InChIKey IEWLYIHXEOOXNN-LHCAAIPHSA-N
Molecular Weight 402.663 g/mol
SMILES O[C@@]1([C@@]2([C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3(C2=C1)[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H])[H]
SPLASH splash10-0udi-0098200000-322c5c27dd9baa5d82dd
Source of Spectrum X2-49-782-1
Wiley ID 1602005