| SpectraBase Spectrum ID |
1Zkv4wjUeI9 |
| Name |
(7E,22E,24R)-3.beta.-Hydroxy-5-oxo-24-methyl-5,6-seco-cholesta-7,22-dien-6-al |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H44O3 |
| InChI |
InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)23-9-10-24-22(13-16-29)25(12-15-27(23,24)5)28(6)14-11-21(30)17-26(28)31/h7-8,13,16,18-21,23-25,30H,9-12,14-15,17H2,1-6H3/b8-7+,22-13+/t19-,20+,21-,23+,24-,25?,27+,28+/m0/s1 |
| InChIKey |
APHUKWPWGDXFOS-VRBGDIMNSA-N |
| Molecular Weight |
428.657 g/mol |
| SMILES |
O[C@]1(CC[C@](C2CC[C@]3([C@](\C2=C\C=O)(CC[C@@]3([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C)(C(C1)=O)C)[H] |
| SPLASH |
splash10-03gi-0009400000-9866292dc19f1c44741d |
| Source of Spectrum |
X2-53-571-12 |
| Synonyms |
(2E)-{(1R,3aR,7aR)-5-[(1R,4S)-4-hydroxy-1-methyl-2-oxocyclohexyl]-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexenyl]octahydro-4H-inden-4-ylidene}ethanal |
| Wiley ID |
1603533 |
