| SpectraBase Compound ID | ELG2xsSvGtD |
|---|---|
| InChI | InChI=1S/C18H26O3/c1-13-8-9-15-17(2,14(13)7-5-12-19)10-6-11-18(15,3)16(20)21-4/h5,7,12,14-15H,1,6,8-11H2,2-4H3/b7-5+/t14-,15+,17+,18-/m0/s1 |
| InChIKey | VJQSYHIAIBRTOX-WIPHFYBHSA-N |
| Mol Weight | 290.4 g/mol |
| Molecular Formula | C18H26O3 |
| Exact Mass | 290.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4AW1aFqdM0 |
|---|---|
| Name | Methyl 13-oxo-14,15,16-trinorlabda-8(17),11E-dien-19-oate |
| Alternate Name(s) | (1S,4aS,5S,8aR)-1,4a-dimethyl-6-methylene-5-[(E)-3-oxoprop-1-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid methyl ester Methyl (1S,4aS,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-oxoprop-1-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate Methyl (1S,4aS,5S,8aR)-1,4a-dimethyl-6-methylene-5-[(E)-3-oxoprop-1-enyl]decalin-1-carboxylate Methyl (1S,4aS,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-oxidanylideneprop-1-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H26O3 |
| InChI | InChI=1S/C18H26O3/c1-13-8-9-15-17(2,14(13)7-5-12-19)10-6-11-18(15,3)16(20)21-4/h5,7,12,14-15H,1,6,8-11H2,2-4H3/b7-5+/t14-,15+,17+,18-/m0/s1 |
| InChIKey | VJQSYHIAIBRTOX-WIPHFYBHSA-N |
| Molecular Weight | 290.403 g/mol |
| SMILES | [C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CCC([C@@]1(\C=C\C=O)[H])=C)[H])C |
| SPLASH | splash10-0ac1-7910000000-d312f494ea734a409813 |
| Source of Spectrum | E2-50-1627-15 |
| Wiley ID | 1555987 |