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(22E)-5.alpha.-chol-22-en-3.beta.-yl acetate
SpectraBase Compound ID 5L7wDXcylVk
InChI InChI=1S/C26H42O2/c1-6-7-17(2)22-10-11-23-21-9-8-19-16-20(28-18(3)27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,17,19-24H,8-16H2,1-5H3/b7-6+/t17-,19+,20+,21?,22-,23?,24?,25+,26-/m1/s1
InChIKey JZKUCNFJKIDKHI-OYVMHIASSA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yBh3yL1Z3V
Name (22E)-5.alpha.-chol-22-en-3.beta.-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-6-7-17(2)22-10-11-23-21-9-8-19-16-20(28-18(3)27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,17,19-24H,8-16H2,1-5H3/b7-6+/t17-,19+,20+,21?,22-,23?,24?,25+,26-/m1/s1
InChIKey JZKUCNFJKIDKHI-OYVMHIASSA-N
Molecular Weight 386.620 g/mol
SMILES [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC[C@@]1([C@@](\C=C\C)(C)[H])[H])C
SPLASH splash10-0a4i-0779000000-7205231e6c2edf2a8016
Source of Spectrum C-114-316-67
Synonyms (3beta,5alpha,22E)-chol-22-en-3-yl acetate
Wiley ID 1362963