| SpectraBase Spectrum ID |
J9kj5JMY7mL |
| Name |
3.alpha.-Acetoxy-6-oxa-7a-homocholest-4-en-7-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H46O4 |
| InChI |
InChI=1S/C29H46O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)33-26-16-21(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 |
GICRZQJUPBWFEA-ZHERTXFJSA-N |
| Molecular Weight |
458.683 g/mol |
| SMILES |
C=12[C@@]([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC(O2)=O)[H])(CC[C@](C1)(OC(=O)C)[H])C |
| SPLASH |
splash10-052b-0009800000-e3b5720fe2e567ddb6a2 |
| Source of Spectrum |
KC-1992-1739-18 |
| Synonyms |
(1R,3aS,3bS,8R,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-5-oxo-2,3,3a,3b,4,5,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-indeno[4,5-d][1]benzoxepin-8-yl acetate
3.alpha.-Acetoxy-6-oxa-7a-homocholest-4-en-6-one |
| Wiley ID |
776426 |
