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(3.alpha.,5.alpha.,24S)-stigmastan-3-ol
SpectraBase Compound ID J6Br5YlXC0S
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-JYDWNUQHSA-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 6ro8WlfSJ7j
Name (3.alpha.,5.alpha.,24S)-stigmastan-3-ol
Alternate Name(s) Stigmastan-3-ol, (3.beta.,5.alpha.,24S)- (24S)-Ethyl-5.alpha.-cholestan-3.beta.-ol (24S)-Ethylcholestan-3.beta.-ol (3alpha,5alpha,24S)-stigmastan-3-ol 24S-ethyl-5.alpha.-cholestan-3.alpha.-ol 5.alpha.-poriferstan-3.beta.-ol Clionastanol Cliostanol
CAS Registry Number 55529-51-6
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-JYDWNUQHSA-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@@](CC[C@@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0159-0090100000-1b199c151fe0824bf71b
Source of Spectrum Va-0-0-0
Wiley ID 742884