| SpectraBase Spectrum ID |
Ajesa9rfTi7 |
| Name |
Methyl 7(r,s)-7-acetoxy-8,8-ethylendioxy-8,9-seco-labdan-15-oate |
| Alternate Name(s) |
Methyl (3R)-6-{(1S)-2-[2-(acetyloxy)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3,3-trimethylcyclohexyl}-3-methylhexanoate
Methyl (7R,S)-7-acetoxy-8,8-ethylenedioxy-8,9-secolabdan-15-oate |
| CAS Registry Number |
108945-03-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H44O6 |
| InChI |
InChI=1S/C25H44O6/c1-18(16-22(27)28-7)10-8-12-24(5)13-9-11-23(3,4)20(24)17-21(31-19(2)26)25(6)29-14-15-30-25/h18,20-21H,8-17H2,1-7H3/t18-,20?,21?,24+/m1/s1 |
| InChIKey |
XDCJDEYPIZLALQ-CIUNNWRNSA-N |
| Molecular Weight |
440.621 g/mol |
| SMILES |
C1(C(CC2[C@@](CCC[C@](CC(=O)OC)(C)[H])(CCCC2(C)C)C)OC(=O)C)(OCCO1)C |
| SPLASH |
splash10-0609-9100000000-db428610878deed4b4bd |
| Source of Spectrum |
F-42-4573-22 |
| Wiley ID |
1384740 |
