| SpectraBase Spectrum ID |
R2ikCsA3SK |
| Name |
1,10-seco-17-beta-24-methyl-3-oxo-5,7,9,22-cholestatetraene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H42O |
| InChI |
InChI=1S/C28H42O/c1-8-23(29)17-22-11-12-25-24(21(22)6)15-16-28(7)26(13-14-27(25)28)20(5)10-9-19(4)18(2)3/h9-12,18-20,26-27H,8,13-17H2,1-7H3/b10-9+/t19?,20-,26-,27+,28-/m1/s1 |
| InChIKey |
WPDLGEBCSHPTCS-ZWPBIARDSA-N |
| Molecular Weight |
394.643 g/mol |
| SMILES |
C(CC)(Cc1ccc2[C@@]3(CC[C@]([C@@](\C=C\C(C(C)C)C)(C)[H])([C@@]3(C)CCc2c1C)[H])[H])=O |
| SPLASH |
splash10-05mx-5109000000-4e593deab5c823748c78 |
| Source of Spectrum |
JX-2015-6-13344 |
| Synonyms |
1-((3R,3aR,9bR)-3-((2R,E)-5,6-dimethylhept-3-en-2-yl)-3a,6-dimethyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-7-yl)butan-2-one |
| Wiley ID |
1731443 |
