| SpectraBase Compound ID | 9YBVeuhHRgh |
|---|---|
| InChI | InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3/t15-,16?,17-,20+,21-/m1/s1 |
| InChIKey | GOECIRGMYVJNBS-UGTZNDKLSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C21H38O3 |
| Exact Mass | 338.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A5vMSwyqL9B |
|---|---|
| Name | labdanic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H38O3 |
| InChI | InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3/t15-,16?,17-,20+,21-/m1/s1 |
| InChIKey | GOECIRGMYVJNBS-UGTZNDKLSA-N |
| Molecular Weight | 338.532 g/mol |
| SMILES | O[C@]1([C@@]([C@@]2(C(C(CCC2)(C)C)CC1)C)(CC[C@](CC(=O)OC)(C)[H])[H])C |
| SPLASH | splash10-052f-0609000000-9b2dcdaee616d79cbd9a |
| Source of Spectrum | F2-45-3160-5 |
| Synonyms | (3R)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid methyl ester Methyl (3R)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate Methyl (3R)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate Methyl (3R)-5-[(1R,2R,8aS)-2,5,5,8a-tetramethyl-2-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pentanoate |
| Wiley ID | 1689318 |