| SpectraBase Spectrum ID |
GUPBFhDiGA4 |
| Name |
Cholesteryl acetate |
| CAS Registry Number |
604-35-3 |
| Classification |
Pharmaceutical excipient derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and 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+/m0/s1 |
| InChIKey |
XUGISPSHIFXEHZ-CKGKYWQCSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
428.701 g/mol |
| Nominal Mass |
428 u |
| Quality |
975 |
| Retention Index |
3237 |
| SMILES |
[C@]12([C@]3(C([C@@]4(C(=CC3)C[C@](CC4)(OC(=O)C)[H])C)CC[C@@]2([C@](CC1)(C(CCCC(C)C)C)[H])C)[H])[H] |
| SPLASH |
splash10-014l-9836000000-f677f531f633268426fe |
| 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,\r9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010248 |
