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5.alpha.-Stigmast-22-ene, 3.beta.-methoxy-
SpectraBase Compound ID Be0R8HRqOak
InChI InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-10,20-28H,8,11-19H2,1-7H3/b10-9-/t21-,22+,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey WTZFEFLHLLQSTP-KMIFRUKISA-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 32NMrAHzvbv
Name 5.alpha.-Stigmast-22-ene, 3.beta.-methoxy-
Alternate Name(s) Stigmast-22-ene, 3-methoxy-, (3.beta.,5.alpha.,22E)- (24R)-3.beta.-methoxy-5.alpha.-stigmast-22-ene (3beta,5alpha,22Z,24R)-3-methoxystigmast-22-ene
CAS Registry Number 103759-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-10,20-28H,8,11-19H2,1-7H3/b10-9-/t21-,22+,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey WTZFEFLHLLQSTP-KMIFRUKISA-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@@](\C=C/[C@@](C(C)C)(CC)[H])(C)[H])[H])[H])C
SPLASH splash10-004j-0039500000-9fc0c3db66aa7846976a
Source of Spectrum C-112-309-17
Wiley ID 1381039