| SpectraBase Spectrum ID |
LDR82aeq7my |
| Name |
6-OXOCHOLEST-4-EN-3-YL ACETATE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.344695338 u |
| Formula |
C29H46O3 |
| InChI |
InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-19,21-25H,7-15,17H2,1-6H3/t19-,21?,22?,23-,24?,25?,28-,29-/m1/s1 |
| InChIKey |
HTZDJVPKUOXQMG-ATKHMJEASA-N |
| Molecular Weight |
442.684 g/mol |
| Nominal Mass |
442 u |
| Number of Peaks |
305 |
| SMILES |
C(C)(=O)OC1CC[C@@]2(C3CC[C@@]4([C@](CCC4C3CC(C2=C1)=O)([C@@](CCCC(C)C)(C)[H])[H])C)C |
| SPLASH |
splash10-0udl-9711600000-a5457417098d50b63a4e |
| Source File Reference |
LMCM-99072-538A |
| Synonyms |
(2R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-8-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-yl acetate
(10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-6-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
8_8121 |
