| SpectraBase Spectrum ID |
3SsWK9QMzb8 |
| Name |
9(s)-9-methyl-8-oxo-8,9-seco-labdan-15-oic acid |
| CAS Registry Number |
108944-93-0 |
| 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-ROWPZFDLSA-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 |
splash10-00yj-9402000000-d7e69feb8c235545097b |
| Source of Spectrum |
Va-0-0-0 |
| Synonyms |
(3S,6S)-3-methyl-6-[(1R,2S)-1,3,3-trimethyl-2-(3-oxobutyl)cyclohexyl]heptanoic acid
3(s),6(s),1'(r),2'(s)-3,6-dimethyl-6 -[1,3,3-trimethyl-2-(3-oxobutyl)-cyclohexyl-hexanoic acid
3(S),6(S),1'(R),2'(S)-3,6-dimethyl-6-[1,3,3-trimethyl-2-(3-oxobutyl)-cyclohexy]-hexanoic acid |
| Wiley ID |
743758 |
