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CHOLEST-5-EN-3-YL ACETATE
SpectraBase Compound ID 4RRUkFy5cma
InChI InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23?,24?,25-,26?,27?,28+,29-/m1/s1
InChIKey XUGISPSHIFXEHZ-KKLJBGHBSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWpxi1Vsx6r
Name CHOLEST-5-EN-3-YL ACETATE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 428.365430784 u
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23?,24?,25-,26?,27?,28+,29-/m1/s1
InChIKey XUGISPSHIFXEHZ-KKLJBGHBSA-N
Molecular Weight 428.701 g/mol
Nominal Mass 428 u
Number of Peaks 254
SMILES C(C)(=O)OC1CC[C@@]2(C3CC[C@@]4([C@](CCC4C3CC=C2C1)([C@@](CCCC(C)C)(C)[H])[H])C)C
SPLASH splash10-05mk-5922000000-66c472e07b2c98ace98f
Source File Reference LMCM-25302-515H
Synonyms (2R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate CHOLESTERYLACETAT
Wiley ID 8_6017