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Stigmast-25-en-3-ol, acetate, (3.beta.,5.alpha.,24S)-
SpectraBase Compound ID 7glFynB6oMb
InChI InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h21,23-29H,2,8-19H2,1,3-7H3/t21-,23+,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey IZEBHQVHFGGCMB-LATSHZGPSA-N
Mol Weight 456.8 g/mol
Molecular Formula C31H52O2
Exact Mass 456.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47SxMCIBij6
Name Stigmast-25-en-3-ol, acetate, (3.beta.,5.alpha.,24S)-
Alternate Name(s) (24S)-5.alpha.-stigmast-25-en-3.beta.-ol (3beta,5alpha,24S)-stigmast-25-en-3-yl acetate
CAS Registry Number 130827-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O2
InChI InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h21,23-29H,2,8-19H2,1,3-7H3/t21-,23+,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey IZEBHQVHFGGCMB-LATSHZGPSA-N
Molecular Weight 456.755 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CC[C@@](C(=C)C)(CC)[H])(C)[H])[H])[H])C
SPLASH splash10-0aor-0098600000-635968e7142f9ce95b40
Source of Spectrum KC-1990-2217-0
Wiley ID 1389548