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Cholesteryl propionate
SpectraBase Compound ID 2UwKhdrzI3x
InChI InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21?,23-,24-,25+,26-,27?,29-,30+/m0/s1
InChIKey CCORPVHYPHHRKB-LUMYGBJKSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dn40Hs6C7UW
Name Cholest-5-en-3-ol (3-beta) propanoate
CAS Registry Number 633-31-8
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 442.381080848 u
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21?,23-,24-,25+,26-,27?,29-,30+/m0/s1
InChIKey CCORPVHYPHHRKB-LUMYGBJKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 442.728 g/mol
Nominal Mass 442 u
Quality 997
Retention Index 3297
SMILES [C@]12([C@]3(C([C@@]4(C(=CC3)C[C@](CC4)(OC(CC)=O)[H])C)CC[C@@]2([C@](CC1)(C(CCCC(C)C)C)[H])C)[H])[H]
SPLASH splash10-014j-5933000000-5e33538df10f9afa651f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (1R,3aS,3bS,7S,9aR,11aR)-9a,11a-dimethyl-1-((2S)-6-methylheptan-2-yl)-2,3,3a,3b,4,6,7,8,9,\r9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl propanoate
Technique GC/MS
Wiley ID DD2024_033478