| SpectraBase Spectrum ID |
4XxQDLQEZiT |
| Name |
Cholestenyl butyrate-A |
| Classification |
Pharmaceutical excipient derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
456.396730912 u |
| Formula |
C31H52O2 |
| InChI |
InChI=1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22?,24-,25-,26+,27-,28?,30-,31+/m0/s1 |
| InChIKey |
CKDZWMVGDHGMFR-VPSAQPDTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
456.755 g/mol |
| Nominal Mass |
456 u |
| Quality |
977 |
| Retention Index |
3473 |
| SMILES |
[C@@]12([C@]3([C@@]([C@](CC3)(C(CCCC(C)C)C)[H])(CCC1[C@@]1(C(=CC2)C[C@](CC1)(OC(CCC)=O)[H])C)C)[H])[H] |
| SPLASH |
splash10-014l-9737000000-73d11c132cfc83d8e845 |
| 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 butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010250 |
