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N-nonadecanoic acid 24-methylenecholesteryl ester
SpectraBase Compound ID 2I9uBdKpzhF
InChI InChI=1S/C47H82O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)38(5)26-25-37(4)36(2)3/h27,36,38,40-44H,4,8-26,28-35H2,1-3,5-7H3/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey OKOVSJJCHWSLNH-JREUTYQLSA-N
Mol Weight 679.2 g/mol
Molecular Formula C47H82O2
Exact Mass 678.631482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WQAidAwpjm
Name N-nonadecanoic acid 24-methylenecholesteryl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H82O2
InChI InChI=1S/C47H82O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)38(5)26-25-37(4)36(2)3/h27,36,38,40-44H,4,8-26,28-35H2,1-3,5-7H3/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey OKOVSJJCHWSLNH-JREUTYQLSA-N
Literature Reference DOI 10.1002/jccs.200100118
Molecular Weight 679.171 g/mol
SMILES C1[C@](OC(CCCCCCCCCCCCCCCCCC)=O)(CC2=CC[C@]3([C@]4([C@@](CC[C@]3([H])[C@@]2(C)C1)(C)[C@](CC4)([C@@](CCC(C(C)C)=C)(C)[H])[H])[H])[H])[H]
SPLASH splash10-015a-2139000000-1a988e7f5d7ecc68e19f
Source of Spectrum QA-48-824-2
Synonyms (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl nonadecanoate
Wiley ID 1797675