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5alpha-CHOLESTANE
SpectraBase Compound ID 4dXRPGtVOSi
InChI InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22-,23-,24-,25+,26+,27-/m1/s1
InChIKey XIIAYQZJNBULGD-GPKFURNQSA-N
Mol Weight 372.7 g/mol
Molecular Formula C27H48
Exact Mass 372.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzODmLiBeq6
Name 5.alpha.-Cholestane
CAS Registry Number 55123-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48
InChI InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22-,23-,24-,25+,26+,27-/m1/s1
InChIKey XIIAYQZJNBULGD-GPKFURNQSA-N
Molecular Weight 372.681 g/mol
SMILES [C@]12([C@@]([C@@]3([C@]([C@@]4([C@@](CCCC4)([H])CC3)C)([H])CC1)[H])(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-014i-0693000000-2ae335d626b7334f4c38
Source of Spectrum E-51-404-0
Synonyms Cholestane .alpha.-Cholestane .beta.-Cholestane 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 10,13-Dimethyl-17-(1',5'-dimethylhexyl)-hexadecahydrocyclopenta(a)phenanthrene 1H-Cyclopenta[a]phenanthrene, 17-(1,5-dimethylhexyl)hexadecahydro-10,13-dimethyl-, [8R-[8.alpha.,9.beta.,10.alpha.,13.alpha.,14.beta.,17.alpha.(R*)]]- 28,29,30-Trinorlanostane Cholestane, (5.alpha.,14.beta.)- 5.beta.-Cholestane 5a,8b,9a,14b,17a,20R-Cholestane Cholestan Cholestane, (5.alpha.)- Cholestane, (5.beta.)- Cholestane, (5alpha,14beta)- Cholestane, (5beta)- Coprostane Pseudocholestane EINECS 207-562-8 EINECS 239-062-0 NSC 140722 NSC 224419
Wiley ID 1381055