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26,27-Dinorcholestane, 3-methoxy-24-(2-methyl-1-propenyl)-, (3.beta.,5.alpha.,24R)-
SpectraBase Compound ID 7Bx0sHVSHF5
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/h18,21-28H,8-17,19H2,1-7H3/t21-,22-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey CRGHHBFWNZQAQM-JHLRFVRYSA-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 GxXrTuXgAGY
Name 26,27-Dinorcholestane, 3-methoxy-24-(2-methyl-1-propenyl)-, (3.beta.,5.alpha.,24R)-
Alternate Name(s) (1S,2S,5S,7S,10R,11S,14R,15R)-14-[(2R,5R)-5,7-dimethyloct-6-en-2-yl]-5-methoxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane (24R)-3.beta.-methoxy-24-methyl-26,26-dimethyl-27-nor-5.alpha.cholest-25-ene
CAS Registry Number 124512-55-6
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/h18,21-28H,8-17,19H2,1-7H3/t21-,22-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey CRGHHBFWNZQAQM-JHLRFVRYSA-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@@](CC[C@](C=C(C)C)(C)[H])(C)[H])[H])[H])C
SPLASH splash10-00kk-0093000000-d3952b90fd0dcc9e1473
Source of Spectrum C-112-309-12
Wiley ID 1381034