| SpectraBase Spectrum ID |
JJZG5Cau7uK |
| Name |
Cholesteryl iso-butyrate |
| Classification |
Pharmaceutical excipient derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
456.396730912 u |
| Formula |
C31H52O2 |
| InChI |
InChI=1S/C31H52O2/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(33-29(32)21(3)4)15-17-30(23,6)28(25)16-18-31(26,27)7/h11,20-22,24-28H,8-10,12-19H2,1-7H3/t22?,24-,25-,26+,27-,28?,30-,31+/m0/s1 |
| InChIKey |
PUUPGXQPWDWTPH-VPSAQPDTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
456.755 g/mol |
| Nominal Mass |
456 u |
| Quality |
974 |
| Retention Index |
3377 |
| SMILES |
[C@@]12([C@]3([C@@]([C@](CC3)(C(CCCC(C)C)C)[H])(CCC1[C@@]1(C(=CC2)C[C@](CC1)(OC(C(C)C)=O)[H])C)C)[H])[H] |
| SPLASH |
splash10-014l-9638000000-65be57c9b7c58870f142 |
| 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,4,6,7,8,9,9a\r,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl 2-methylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010251 |
