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Stigmastan-3-ol, (3.alpha.,5.alpha.,24.xi.)-
SpectraBase Compound ID 57ZcyQhzW9x
InChI InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21?,22+,23-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey LGJMUZUPVCAVPU-ZKPYWPSDSA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDQLJgQAddR
Name Stigmastan-3-ol, (3.alpha.,5.alpha.,24.xi.)-
Alternate Name(s) (3.alpha.,5.alpha.,24.xi.)-stigmastan-3-ol (3alpha,5alpha)-stigmastan-3-ol 24.xi.-ethyl-cholestan-3.alpha.-ol
CAS Registry Number 98463-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O
InChI InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21?,22+,23-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey LGJMUZUPVCAVPU-ZKPYWPSDSA-N
Molecular Weight 416.734 g/mol
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCC(C(C)C)CC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0159-2062900000-3d8ff79d47262f25927c
Source of Spectrum F-44-1361-11
Wiley ID 1376711