| SpectraBase Spectrum ID |
HKkyc68UgNP |
| Name |
Methyl 3.beta.-Acetyloxy-1.alpha.-hydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oate |
| CAS Registry Number |
75716-71-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H38O5 |
| InChI |
InChI=1S/C26H38O5/c1-16(13-25(29)30-5)22-10-11-23-19(7-6-12-26(22,23)4)8-9-20-14-21(31-18(3)27)15-24(28)17(20)2/h8-9,16,21-24,28H,2,6-7,10-15H2,1,3-5H3/b19-8+,20-9-/t16-,21+,22-,23+,24+,26-/m1/s1 |
| InChIKey |
SMFKXNNGUMHSGA-NDXRZTSQSA-N |
| Molecular Weight |
430.585 g/mol |
| SMILES |
O[C@@]1(C(\C(=C/C=C/2[C@]3([C@@]([C@](CC3)([C@@](CC(=O)OC)(C)[H])[H])(CCC2)C)[H])C[C@@](C1)(OC(=O)C)[H])=C)[H] |
| SPLASH |
splash10-0089-0905100000-e88c82ef8fa375348678 |
| Source of Spectrum |
J-46-458-0 |
| Synonyms |
Methyl (3R)-3-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5S)-5-(acetyloxy)-3-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]butanoate |
| Wiley ID |
1381670 |
