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(2Z,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-(oxidanylmethylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

View entire compound with spectra: 2 MS (GC)

(2Z,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-(oxidanylmethylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID aiUiY8uHYw
InChI InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26(30)20(17-29)16-28(21,5)25(22)13-14-27(23,24)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17-/t19-,21+,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey HANWTWIRKYRHGG-RTSMANDKSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76IHRAfBfI1
Name 5.alpha.-Cholestan-3-one, 2-(hydroxymethylene)-
CAS Registry Number 17130-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26(30)20(17-29)16-28(21,5)25(22)13-14-27(23,24)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17-/t19-,21+,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey HANWTWIRKYRHGG-RTSMANDKSA-N
Molecular Weight 414.674 g/mol
SMILES O\C=C\1C[C@@]2([C@@]3([C@]([C@]4([C@]([C@]([C@@](CCCC(C)C)(C)[H])([H])CC4)(C)CC3)[H])(CC[C@]2(CC1=O)[H])[H])[H])C
SPLASH splash10-0or0-0049700000-690c584e4c8ec316c9c5
Source of Spectrum B-40-1100-9
Synonyms Cholestan-3-one, 2-(hydroxymethylene)-, (5.alpha.)- 2-Hydroxymethylenecholestan-3-one NSC 134956
Wiley ID 1375755