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(5S,8S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(5S,8S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 9r7fECCsxbV
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h15,19-22,24-26H,7-14,16-18H2,1-6H3/t20-,21-,22+,24+,25-,26+,28+,29-/m1/s1
InChIKey ZWTPQWMZKRJCAT-FZQCVCNLSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rSLfEm3Yu
Name (5S,8S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h15,19-22,24-26H,7-14,16-18H2,1-6H3/t20-,21-,22+,24+,25-,26+,28+,29-/m1/s1
InChIKey ZWTPQWMZKRJCAT-FZQCVCNLSA-N
Molecular Weight 412.702 g/mol
SMILES C1(CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CC[C@@](CC)(C(C)C)[H])(C)[H])([C@@]3(C)CC=C21)[H])[H])[H])[H])C)=O
SPLASH splash10-0a59-9100000000-caac32a259b02223f1a4
Source of Spectrum Y1-38-747-2
Wiley ID 1527724