| SpectraBase Spectrum ID |
8FkfdhAqe24 |
| Name |
Cholesteryl benzoate |
| CAS Registry Number |
604-32-0 |
| Classification |
Pharmaceutical drug, excipient |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
490.381080848 u |
| Formula |
C34H50O2 |
| InChI |
InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24?,27-,28-,29+,30-,31?,33-,34+/m0/s1 |
| InChIKey |
UVZUFUGNHDDLRQ-YMBYIDOGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
490.772 g/mol |
| Nominal Mass |
490 u |
| Quality |
952 |
| Retention Index |
3774 |
| SMILES |
[C@@]12([C@]3([C@@]([C@](CC3)(C(CCCC(C)C)C)[H])(CCC1[C@@]1(C(=CC2)C[C@](CC1)(OC(C1=CC=CC=C1)=O)[H])C)C)[H])[H] |
| SPLASH |
splash10-052e-4921000000-3a183173f286d5703ca4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-2-heptanyl]-2,3,4,7,8,9,10,11, \r12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000702 |
