| SpectraBase Spectrum ID |
EPA5n2lrN2G |
| Name |
Methyl 8,8-ethylendioxy-7-oxo-8,9-seco-labdan-15-oate |
| CAS Registry Number |
108888-90-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H40O5 |
| InChI |
InChI=1S/C23H40O5/c1-17(15-20(25)26-6)9-7-11-22(4)12-8-10-21(2,3)18(22)16-19(24)23(5)27-13-14-28-23/h17-18H,7-16H2,1-6H3/t17-,18-,22-/m0/s1 |
| InChIKey |
AORLQLXIEZAJLX-SPEDKVCISA-N |
| Molecular Weight |
396.568 g/mol |
| SMILES |
C1(C(C[C@@]2([C@@](CCC[C@@](CC(=O)OC)(C)[H])(CCCC2(C)C)C)[H])=O)(OCCO1)C |
| SPLASH |
splash10-000i-9700000000-7fea1f855605d101dcc1 |
| Source of Spectrum |
F-42-4574-25 |
| Synonyms |
Methyl (3S)-3-methyl-6-{(1S,2S)-1,3,3-trimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)-2-oxoethyl]cyclohexyl}hexanoate |
| Wiley ID |
1367576 |
