| SpectraBase Compound ID | AY3zwaGDoh4 |
|---|---|
| InChI | InChI=1S/C19H30O3/c1-13-7-10-16-18(3,15(13)9-8-14(2)20)11-6-12-19(16,4)17(21)22-5/h8-9,14-16,20H,1,6-7,10-12H2,2-5H3/b9-8+/t14?,15-,16+,18+,19-/m0/s1 |
| InChIKey | ZVORPQLEPXRXRF-XOODUPQBSA-N |
| Mol Weight | 306.45 g/mol |
| Molecular Formula | C19H30O3 |
| Exact Mass | 306.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6bAyxVO2UgD |
|---|---|
| Name | Methyl 13-hydroxy-15,16-dinorlabda-8(17),11E-dien-19-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H30O3 |
| InChI | InChI=1S/C19H30O3/c1-13-7-10-16-18(3,15(13)9-8-14(2)20)11-6-12-19(16,4)17(21)22-5/h8-9,14-16,20H,1,6-7,10-12H2,2-5H3/b9-8+/t14?,15-,16+,18+,19-/m0/s1 |
| InChIKey | ZVORPQLEPXRXRF-XOODUPQBSA-N |
| Molecular Weight | 306.446 g/mol |
| SMILES | OC(\C=C\[C@@]1([C@@]2([C@]([C@@](C(=O)OC)(CCC2)C)(CCC1=C)[H])C)[H])C |
| SPLASH | splash10-0ab9-9910000000-1666950aec53218711e6 |
| Source of Spectrum | E2-50-1627-16 |
| Synonyms | (1S,4aS,5S,8aR)-5-[(E)-3-hydroxybut-1-enyl]-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid methyl ester Methyl (1S,4aS,5S,8aR)-5-[(E)-3-hydroxybut-1-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate Methyl (1S,4aS,5S,8aR)-5-[(E)-3-hydroxybut-1-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylate Methyl (1S,4aS,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-oxidanylbut-1-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate |
| Wiley ID | 1555986 |