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(3S,5S,6S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylhept-5-en-2-yl)-2,3,4,5,6,7,9,10,11,12,13,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3S,5S,6S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylhept-5-en-2-yl)-2,3,4,5,6,7,9,10,11,12,13,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
SpectraBase Compound ID DiiSE6Kp3Li
InChI InChI=1S/C27H44O2/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/h7,18-19,21,23-25,28-29H,6,8-16H2,1-5H3/t18-,19+,21-,23?,24-,25+,26-,27-/m1/s1
InChIKey QGPKBOWNYROFNQ-HICNHADZSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dx1J3BofJ7r
Name (3S,5S,6S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylhept-5-en-2-yl)-2,3,4,5,6,7,9,10,11,12,13,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/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/h7,18-19,21,23-25,28-29H,6,8-16H2,1-5H3/t18-,19+,21-,23?,24-,25+,26-,27-/m1/s1
InChIKey QGPKBOWNYROFNQ-HICNHADZSA-N
Literature Reference DOI 10.1002/cjoc.19930110611
Molecular Weight 400.647 g/mol
SMILES O[C@]1(CC[C@@]2(C3C(C[C@@]([C@]2(C1)[H])(O)[H])=C1[C@](CC3)([C@](CC1)([C@](C)(CCC=C(C)C)[H])[H])C)C)[H]
SPLASH splash10-0udj-9363600000-c2b5161add2bf087f7b7
Source of Spectrum CJC-11-564-1
Wiley ID 1801030