| SpectraBase Spectrum ID |
9KtQSAjoXsi |
| Name |
Smenodiol diacetate |
| Alternate Name(s) |
Methyl 3-{[(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methyl}-4,5-bis(acetyloxy)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O6 |
| InChI |
InChI=1S/C27H36O6/c1-16-9-10-23-26(4,5)11-8-12-27(23,6)21(16)14-19-13-20(25(30)31-7)15-22(32-17(2)28)24(19)33-18(3)29/h9,13,15,21,23H,8,10-12,14H2,1-7H3/t21-,23?,27+/m0/s1 |
| InChIKey |
VGVONZHLUXRZEV-YFNUXJDMSA-N |
| Molecular Weight |
456.579 g/mol |
| SMILES |
[C@]12([C@@](Cc3c(c(OC(=O)C)cc(c3)C(=O)OC)OC(=O)C)(C(C)=CCC1C(C)(C)CCC2)[H])C |
| SPLASH |
splash10-0006-0900200000-ad596026624c30321b65 |
| Source of Spectrum |
F-48-6677-17 |
| Wiley ID |
1389370 |
