| SpectraBase Spectrum ID |
2ZOKPs4G5oj |
| Name |
3.beta.-Acetoxy-5,6-epoxycholestane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O3 |
| InChI |
InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26-29(32-26)17-21(31-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26?,27-,28-,29?/m1/s1 |
| InChIKey |
VEEBKUQFPONGGR-SHLFAZGESA-N |
| Molecular Weight |
444.700 g/mol |
| SMILES |
[C@]1(CC[C@]2(C3(C1)C(C[C@]1([C@@]4(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]4(C)CC[C@]21[H])[H])[H])[H])O3)C)(OC(=O)C)[H] |
| SPLASH |
splash10-053r-0009000000-b1772582d05017ddea0b |
| Source of Spectrum |
K1-2004-4786-3 |
| Synonyms |
3.beta.-Acetoxy-5.xi.,6.xi.-epoxycholestane
(3S,6aS,6bS,9R,9aR,11aS,11bR)-9-[(1R)-1,5-dimethylhexyl]-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-yl acetate
3.beta.-Acetoxy-(5-6-epoxy)-cholestane |
| Wiley ID |
1559969 |
