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3a,5-Cyclo-5a-cholestane
SpectraBase Compound ID 5MZK3coE0fg
InChI InChI=1S/C27H46/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27-17-20(27)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24-,25+,26+,27-/m0/s1
InChIKey MYUSPBGUUVXDMH-OZXJBWNJSA-N
Mol Weight 370.7 g/mol
Molecular Formula C27H46
Exact Mass 370.359951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBq4NKeHqf0
Name 3a,5-Cyclo-5a-cholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46
InChI InChI=1S/C27H46/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27-17-20(27)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24-,25+,26+,27-/m0/s1
InChIKey MYUSPBGUUVXDMH-OZXJBWNJSA-N
Molecular Weight 370.665 g/mol
SMILES [C@@]123[C@@]([C@]4(CC[C@]5([C@]([C@@]4(CC3)[H])(CC[C@@]5([C@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CC[C@]1(C2)[H])C
SPLASH splash10-0604-7059000000-c023372b5f00fbdbe732
Source of Spectrum SB-46-107-0
Synonyms (1S,2R,5S,7S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2S)-6-methylheptan-2-yl]pentacyclo[8.7.0.0(2,7).0(5,7).0(11,15)]heptadecane
Wiley ID 1354786