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4-Octanone, 7-[(3.beta.,5.alpha.,17.beta.)-3-methoxyandrostan-17-yl]-2-methyl-, (R)-
SpectraBase Compound ID FepAPFrTNdD
InChI InChI=1S/C29H50O2/c1-19(2)17-22(30)9-7-20(3)25-11-12-26-24-10-8-21-18-23(31-6)13-15-28(21,4)27(24)14-16-29(25,26)5/h19-21,23-27H,7-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey OCMRIRVGDZNUKM-FBZNIEFRSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1isxMu2w0l7
Name 4-Octanone, 7-[(3.beta.,5.alpha.,17.beta.)-3-methoxyandrostan-17-yl]-2-methyl-, (R)-
CAS Registry Number 124512-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-19(2)17-22(30)9-7-20(3)25-11-12-26-24-10-8-21-18-23(31-6)13-15-28(21,4)27(24)14-16-29(25,26)5/h19-21,23-27H,7-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey OCMRIRVGDZNUKM-FBZNIEFRSA-N
Molecular Weight 430.717 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(=O)CC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0a4r-9143200000-8be4866aa91cd182db3a
Source of Spectrum C-112-309-21
Synonyms Androstane, 4-octanone deriv. (7R)-7-[(1S,2S,5S,7S,10R,11S,14R,15R)-5-methoxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2-methyloctan-4-one 3.beta.-methoxy-26,26-dimethyl-27-nor-5.alpha.-cholestan-24-one
Wiley ID 1381835