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3-METHYL-A-NORCHOLEST-3(5)-ENE

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-METHYL-A-NORCHOLEST-3(5)-ENE
SpectraBase Compound ID JsYTSdmBpvZ
InChI InChI=1S/C27H46/c1-18(2)8-7-9-19(3)23-12-13-24-21-10-11-22-20(4)14-16-26(22,5)25(21)15-17-27(23,24)6/h18-19,21,23-25H,7-17H2,1-6H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey DDHNIWMCNYOZAN-DDPQNLDTSA-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 9zuHEQw2i
Name A-Norcholest-3(5)-ene, 3-methyl-
CAS Registry Number 6908-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46
InChI InChI=1S/C27H46/c1-18(2)8-7-9-19(3)23-12-13-24-21-10-11-22-20(4)14-16-26(22,5)25(21)15-17-27(23,24)6/h18-19,21,23-25H,7-17H2,1-6H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey DDHNIWMCNYOZAN-DDPQNLDTSA-N
Molecular Weight 370.665 g/mol
SMILES [C@@]12(C(=C(C)CC2)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C
SPLASH splash10-0a4i-9706000000-9a6eb694d12f93f6b8ca
Source of Spectrum J-59-2248-10
Synonyms 3-Methyl-A-norcholest-3(5)-ene (1R,3aS,3bS,8aR,8bS,10aR)-1-[(1R)-1,5-dimethylhexyl]-6,8a,10a-trimethyl-1,2,3,3a,3b,4,5,7,8,8a,8b,9,10,10a-tetradecahydrodicyclopenta[a,f]naphthalene 3-Methyl-a-nor-3(5)-cholesten 3-Methyl-a-nor-3(5)-cholestene Dicyclopenta[a,f]naphthalene, a-norcholest-3(5)-ene deriv.
Wiley ID 1354787