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5.BETA.-CHOLEST-3-ENE
SpectraBase Compound ID 2an2EwOoq5z
InChI InChI=1S/C27H46/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/h6,11,19-25H,7-10,12-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey SFBMPHLOQAKIBY-CJPSHIORSA-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 10kY2aE1vU
Name 5.BETA.-CHOLEST-3-ENE
CAS Registry Number 13901-20-7
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 370.359951481 u
Formula C27H46
InChI InChI=1S/C27H46/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/h6,11,19-25H,7-10,12-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey SFBMPHLOQAKIBY-CJPSHIORSA-N
Molecular Weight 370.665 g/mol
Nominal Mass 370 u
Number of Peaks 264
SMILES C=1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-0a4l-9621000000-f66e761c69a8e1debea1
Source File Reference LMCM-63028-876U
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (1S,2S,7R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-5-ene CHOLEST-3-ENE, (5.BETA.)-
Wiley ID 8_21311