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Cholesta-5,7,9(11),22-tetraen-3-ol, (3.beta.,22E)-
SpectraBase Compound ID 4G41M6E22Fu
InChI InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,14,18-19,21,23-24,28H,7,11-13,15-17H2,1-5H3/b8-6+/t19-,21+,23-,24+,26+,27-/m1/s1
InChIKey GNRJJEDFWQMQOM-GPWOMBQASA-N
Mol Weight 380.6 g/mol
Molecular Formula C27H40O
Exact Mass 380.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5A88vNVzXrY
Name Cholesta-5,7,9(11),22-tetraen-3-ol, (3.beta.,22E)-
Alternate Name(s) (22E)-cholesta-5,7,9(11),22-tetraen-3.beta.-ol (22E)-cholesta-5,7,9(11),22-tetraen-3b-ol (3beta,22E)-cholesta-5,7,9(11),22-tetraen-3-ol
CAS Registry Number 85733-70-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O
InChI InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,14,18-19,21,23-24,28H,7,11-13,15-17H2,1-5H3/b8-6+/t19-,21+,23-,24+,26+,27-/m1/s1
InChIKey GNRJJEDFWQMQOM-GPWOMBQASA-N
Molecular Weight 380.616 g/mol
SMILES O[C@]1(CC[C@@]2(C=3C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\CC(C)C)(C)[H])[H])[H])=CC=C2C1)C)[H]
SPLASH splash10-0w2a-0196000000-8fcb0dd5a63b35db84be
Source of Spectrum KC-1983-152-0
Wiley ID 1360010