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Stigmast-14-en-3-ol, acetate, (3.beta.,5.alpha.)-
SpectraBase Compound ID K7nkYodxmGg
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/h14,20-21,23-27,29H,8-13,15-19H2,1-7H3/t21-,23-,24+,25+,26+,27-,29+,30+,31-/m1/s1
InChIKey NFAHCLFSPYJUFA-TUFYKWHSSA-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 Jh8irerk71p
Name Stigmast-14-en-3-ol, acetate, (3.beta.,5.alpha.)-
Alternate Name(s) (3.beta.,5.alpha.)-stigmast-14-en-3-ol acetate (3beta,5alpha)-stigmast-14-en-3-yl acetate 5.alpha.-stigmast-14-en-3.beta.-ol acetate
CAS Registry Number 63631-47-0
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/h14,20-21,23-27,29H,8-13,15-19H2,1-7H3/t21-,23-,24+,25+,26+,27-,29+,30+,31-/m1/s1
InChIKey NFAHCLFSPYJUFA-TUFYKWHSSA-N
Molecular Weight 456.755 g/mol
SMILES C1=2[C@@]([C@@]([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])(CC2)[H])(CC[C@@]2([C@]3(CC[C@](OC(=O)C)(C[C@@]3(CC[C@@]12[H])[H])[H])C)[H])C
SPLASH splash10-066r-0059100000-8b073da59cbb953b51bb
Source of Spectrum C-99-4482-0
Wiley ID 1389533