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Stigmast-28-ene, 3-methoxy-, (3.beta.,5.alpha.,24S)-
SpectraBase Compound ID 1vtQfUFBjQ9
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/h8,20-28H,1,9-19H2,2-7H3/t21-,22+,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey HGFRVLUTAJBUIS-ZKGXPGAPSA-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 6sKP2dkXuC6
Name Stigmast-28-ene, 3-methoxy-, (3.beta.,5.alpha.,24S)-
Alternate Name(s) (24S)-3.beta.-methoxy-5.alpha.-stigmast-28-ene (3beta,5alpha,24S)-3-methoxystigmast-28-ene
CAS Registry Number 124512-59-0
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/h8,20-28H,1,9-19H2,2-7H3/t21-,22+,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey HGFRVLUTAJBUIS-ZKGXPGAPSA-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 splash10-002f-9054800000-beb9d08a57ee1c8c7d4a
Source of Spectrum C-112-309-16
Wiley ID 1381038