| SpectraBase Spectrum ID |
9SdnOPkRn00 |
| Name |
7,8-Dioxo-8,9-seco-labdan-15-oic acid |
| Alternate Name(s) |
(3S)-6-[(1S,2S)-2-(2,3-dioxobutyl)-1,3,3-trimethylcyclohexyl]-3-methylhexanoic acid |
| CAS Registry Number |
108888-93-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-14(12-18(23)24)8-6-10-20(5)11-7-9-19(3,4)17(20)13-16(22)15(2)21/h14,17H,6-13H2,1-5H3,(H,23,24)/t14-,17-,20-/m0/s1 |
| InChIKey |
QYSUOUQHFMHLPP-VHFSOBRXSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
OC(C[C@](CCC[C@@]1([C@@](CC(C(=O)C)=O)(C(CCC1)(C)C)[H])C)(C)[H])=O |
| SPLASH |
splash10-00sj-9500000000-70e0b5755f9c4563e357 |
| Source of Spectrum |
F-42-4574-28 |
| Wiley ID |
1333939 |
