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26,27-Dinorcholest-24-ene, 3-methoxy-24-(2-methylpropyl)-, (3.beta.,5.alpha.)-
SpectraBase Compound ID 36gIy6elEVj
InChI InChI=1S/C30H52O/c1-20(2)18-21(3)8-9-22(4)26-12-13-27-25-11-10-23-19-24(31-7)14-16-29(23,5)28(25)15-17-30(26,27)6/h20,22-28H,3,8-19H2,1-2,4-7H3/t22-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey ODUQIGPBSQVFCJ-QYHGRWQDSA-N
Mol Weight 428.7 g/mol
Molecular Formula C30H52O
Exact Mass 428.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SDIABgLlOc
Name 26,27-Dinorcholest-24-ene, 3-methoxy-24-(2-methylpropyl)-, (3.beta.,5.alpha.)-
Alternate Name(s) (1S,2S,5S,7S,10R,11S,14R,15R)-5-methoxy-2,15-dimethyl-14-[(2R)-7-methyl-5-methylideneoctan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane 3.beta.-methoxy-24-methylene-26,26-dimethyl-27-nor-5.alpha.cholestane
CAS Registry Number 124512-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-20(2)18-21(3)8-9-22(4)26-12-13-27-25-11-10-23-19-24(31-7)14-16-29(23,5)28(25)15-17-30(26,27)6/h20,22-28H,3,8-19H2,1-2,4-7H3/t22-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey ODUQIGPBSQVFCJ-QYHGRWQDSA-N
Molecular Weight 428.745 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(=C)CC(C)C)(C)[H])[H])[H])C
SPLASH splash10-00o9-0069500000-6af816a480af0f0ec446
Source of Spectrum C-112-309-15
Wiley ID 1381037