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3.beta.-Carbomethoxy-4.alpha.-methyl-5.alpha.-cholestane
SpectraBase Compound ID FsV2NzXTSgz
InChI InChI=1S/C30H52O2/c1-19(2)9-8-10-20(3)24-13-14-26-23-11-12-25-21(4)22(28(31)32-7)15-17-30(25,6)27(23)16-18-29(24,26)5/h19-27H,8-18H2,1-7H3/t20-,21-,22+,23+,24-,25+,26+,27+,29-,30+/m1/s1
InChIKey HXBCSGDQNDHZHG-ZVKZYESRSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gEwaKSlRpp
Name 3.beta.-Carbomethoxy-4.alpha.-methyl-5.alpha.-cholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-19(2)9-8-10-20(3)24-13-14-26-23-11-12-25-21(4)22(28(31)32-7)15-17-30(25,6)27(23)16-18-29(24,26)5/h19-27H,8-18H2,1-7H3/t20-,21-,22+,23+,24-,25+,26+,27+,29-,30+/m1/s1
InChIKey HXBCSGDQNDHZHG-ZVKZYESRSA-N
Molecular Weight 444.744 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2([C@](C)([C@](CC1)(C(=O)OC)[H])[H])[H])[H])C
SPLASH splash10-0abl-3790300000-6f52c4d0260a2f3572df
Source of Spectrum F-50-12639-8
Synonyms Methyl (3beta,4alpha,5alpha)-4-methylcholestane-3-carboxylate
Wiley ID 789992