| SpectraBase Spectrum ID |
1Yqauwtgvab |
| Name |
3.BETA.-ACETOXY-CHOLEST-5-ENE |
| Copyright |
Copyright © 2011-2024 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-/m1/s1 |
| InChIKey |
XUGISPSHIFXEHZ-VEVYEIKRSA-N |
| Molecular Weight |
428.701 g/mol |
| Nominal Mass |
428 u |
| Number of Peaks |
69 |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)(OC(=O)C)[H] |
| SPLASH |
splash10-014i-7619000000-6b98c698375503783cc9 |
| Source File Reference |
LMCM-30601-034F |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
CHOLEST-5-EN-3-YL ACETATE
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
4_106 |
