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26,27-Dinorcholestane, 3-methoxy-24-(2-methylcyclopropyl)-, [3.beta.,5.alpha.,24R(1R,2R)]-
SpectraBase Compound ID 4zmljPoExt7
InChI InChI=1S/C30H52O/c1-19(25-17-21(25)3)7-8-20(2)26-11-12-27-24-10-9-22-18-23(31-6)13-15-29(22,4)28(24)14-16-30(26,27)5/h19-28H,7-18H2,1-6H3/t19-,20-,21?,22+,23+,24+,25?,26-,27+,28+,29+,30-/m1/s1
InChIKey UIQSEAZETPVHSV-QKARWFERSA-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 9TBDjoXsmex
Name 26,27-Dinorcholestane, 3-methoxy-24-(2-methylcyclopropyl)-, [3.beta.,5.alpha.,24R(1R,2R)]-
Alternate Name(s) (1S,2S,5S,7S,10R,11S,14R,15R)-5-methoxy-2,15-dimethyl-14-[(2R,5R)-5-(2-methylcyclopropyl)hexan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane (24R,25R,26R)-3.beta.-methoxy-24,26-dimethyl-25,27-cyclo-5.alpha.cholestane
CAS Registry Number 124512-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-19(25-17-21(25)3)7-8-20(2)26-11-12-27-24-10-9-22-18-23(31-6)13-15-29(22,4)28(24)14-16-30(26,27)5/h19-28H,7-18H2,1-6H3/t19-,20-,21?,22+,23+,24+,25?,26-,27+,28+,29+,30-/m1/s1
InChIKey UIQSEAZETPVHSV-QKARWFERSA-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@](C1CC1C)(C)[H])(C)[H])[H])[H])C
SPLASH splash10-002r-0094800000-7715fcefdf643a4933ea
Source of Spectrum C-112-308-2
Wiley ID 1381028