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27-Norcholesta-5,7,22-trien-3-ol, (3.beta.,22E)-
SpectraBase Compound ID JX4wscrJDF4
InChI InChI=1S/C26H40O/c1-5-6-7-8-18(2)22-11-12-23-21-10-9-19-17-20(27)13-15-25(19,3)24(21)14-16-26(22,23)4/h7-10,18,20,22-24,27H,5-6,11-17H2,1-4H3/b8-7+/t18-,20+,22-,23+,24+,25+,26-/m1/s1
InChIKey GWOQCGQDMPZUMP-CACURULFSA-N
Mol Weight 368.6 g/mol
Molecular Formula C26H40O
Exact Mass 368.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43PDgJWOLMs
Name 27-Norcholesta-5,7,22-trien-3-ol, (3.beta.,22E)-
Alternate Name(s) (1S,2R,5S,11R,14R,15R)-14-[(2R,3E)-hept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-5-ol (22E)-27-norcholesta-5,7,22-trien-3.beta.-ol (22E)-27-norcholesta-5,7,22-trien-3b-ol
CAS Registry Number 85733-75-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O
InChI InChI=1S/C26H40O/c1-5-6-7-8-18(2)22-11-12-23-21-10-9-19-17-20(27)13-15-25(19,3)24(21)14-16-26(22,23)4/h7-10,18,20,22-24,27H,5-6,11-17H2,1-4H3/b8-7+/t18-,20+,22-,23+,24+,25+,26-/m1/s1
InChIKey GWOQCGQDMPZUMP-CACURULFSA-N
Molecular Weight 368.605 g/mol
SMILES O[C@@]1(CC2=CC=C3[C@]4([C@]([C@@]([C@@](\C=C\CCC)(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CC1)C)[H])[H])[H]
SPLASH splash10-0ap0-3049000000-582d1b94fe430a2b85d3
Source of Spectrum KC-1983-152-0
Wiley ID 1353449