| SpectraBase Spectrum ID |
65uxqFHMtLa |
| Name |
9(r)-9-methyl-8-oxo-8,9-secolabdan-15-oic acid |
| Alternate Name(s) |
(3S,6R)-3-methyl-6-[(1R,2S)-1,3,3-trimethyl-2-(3-oxobutyl)cyclohexyl]heptanoic acid |
| CAS Registry Number |
108888-72-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H38O3 |
| InChI |
InChI=1S/C21H38O3/c1-15(14-19(23)24)8-9-16(2)21(6)13-7-12-20(4,5)18(21)11-10-17(3)22/h15-16,18H,7-14H2,1-6H3,(H,23,24)/t15-,16+,18-,21+/m0/s1 |
| InChIKey |
GRYJSMXEPPNSOR-ONFYXGJMSA-N |
| Molecular Weight |
338.532 g/mol |
| SMILES |
OC(C[C@](CC[C@]([C@@]1([C@](C(C)(C)CCC1)(CCC(=O)C)[H])C)(C)[H])(C)[H])=O |
| SPLASH |
splash10-0159-9310000000-ca43a805f91803c9bd4b |
| Source of Spectrum |
F-42-4571-7 |
| Wiley ID |
1334095 |
