| SpectraBase Compound ID | KT225WPGkhG |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h6,10,13-15,18H,5,7-9,11-12H2,1-4H3/t15-,18?,20+,21+/m1/s1 |
| InChIKey | QDSWHJNTSPBQME-IXFYNZMRSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HAPzpTp9gi6 |
|---|---|
| Name | Hardwickiic acid methylester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h6,10,13-15,18H,5,7-9,11-12H2,1-4H3/t15-,18?,20+,21+/m1/s1 |
| InChIKey | QDSWHJNTSPBQME-IXFYNZMRSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | [C@]12(C(C(=O)OC)=CCCC2[C@](CCc2cocc2)(C)[C@@](CC1)(C)[H])C |
| SPLASH | splash10-000j-9540000000-18b1942b4703b1f192c3 |
| Source of Spectrum | X2-54-1631-3 |
| Synonyms | Hardwickic acid - methyl ester 5,8,9-Trimethyl-9-[2'-(furan-3''-yl)ethyl]-4-(methoxycarbonyl)-(octahydro)-naphthalene (4a.alpha.,5.alpha.,6.beta.,8a.beta.)-5[2-(3-furanyl) ethyl]- 3,4,4a,5,6,7,8,8a -octahydro-5,6,8a-trimethyl-1-naphthalene-carboxylic acid Methyl (5S,6R,8aR)-5-[2-(3-furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate Methyl hardwickiate |
| Wiley ID | 1604278 |