| SpectraBase Spectrum ID |
V6Q5KaEcoP |
| Name |
Methyl 7(r,s)-7-acetoxy-8-oxo-8,9-seco-labdan-15-oate |
| Alternate Name(s) |
Methyl (3R)-6-{(1S)-2-[2-(acetyloxy)-3-oxobutyl]-1,3,3-trimethylcyclohexyl}-3-methylhexanoate |
| CAS Registry Number |
108945-02-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H40O5 |
| InChI |
InChI=1S/C23H40O5/c1-16(14-21(26)27-7)10-8-12-23(6)13-9-11-22(4,5)20(23)15-19(17(2)24)28-18(3)25/h16,19-20H,8-15H2,1-7H3/t16-,19?,20?,23+/m1/s1 |
| InChIKey |
DGMNRNQUYSTZOE-TYYZCITMSA-N |
| Molecular Weight |
396.568 g/mol |
| SMILES |
C1(CC(OC(=O)C)C(=O)C)[C@@](CCC[C@](CC(=O)OC)(C)[H])(CCCC1(C)C)C |
| SPLASH |
splash10-0159-7910000000-75e16a166cc911740bf8 |
| Source of Spectrum |
F-42-4573-21 |
| Wiley ID |
1367575 |
