| SpectraBase Compound ID | KL9yEw5ThYN |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-14(11-19(23)24-6)7-9-20(4)15(2)8-10-21(5)16(3)12-17(22)13-18(20)21/h11-12,15,18H,7-10,13H2,1-6H3/b14-11+/t15-,18-,20+,21+/m1/s1 |
| InChIKey | SABQHVWRNLPVTQ-ZQTZVFAOSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LWqgUi1VuF3 |
|---|---|
| Name | 2-Oxokolavenic acid - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-14(11-19(23)24-6)7-9-20(4)15(2)8-10-21(5)16(3)12-17(22)13-18(20)21/h11-12,15,18H,7-10,13H2,1-6H3/b14-11+/t15-,18-,20+,21+/m1/s1 |
| InChIKey | SABQHVWRNLPVTQ-ZQTZVFAOSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | [C@]12([C@@]([C@](CC\C(=C\C(=O)OC)C)(C)[C@@](CC2)(C)[H])(CC(C=C1C)=O)[H])C |
| SPLASH | splash10-0a4s-5931000000-a6ca96f1f2e741a2cc70 |
| Source of Spectrum | X2-55-849-4 |
| Synonyms | 4,7,8-Tetramethyl-8-[4'-(methoxycarbonyl0-3'-methyl-3'-butenyl]-(octahydro)-naphthalen-2-one (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methyl-2-pentenoic acid methyl ester Methyl (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoate Methyl (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methyl-pent-2-enoate Methyl (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxidanylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methyl-pent-2-enoate |
| Wiley ID | 1604530 |