| SpectraBase Compound ID | 6fHyes7kK5X |
|---|---|
| InChI | InChI=1S/C25H34O6/c1-14-8-9-19-24(3,4)10-7-11-25(19,5)18(14)13-16-12-17(23(29)30-6)20(27)21(28)22(16)31-15(2)26/h8,12,18-19,27-28H,7,9-11,13H2,1-6H3/t18-,19-,25+/m0/s1 |
| InChIKey | ZSHYSFUYMCQDTR-XHNVNVPESA-N |
| Mol Weight | 430.5 g/mol |
| Molecular Formula | C25H34O6 |
| Exact Mass | 430.235539 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6nbrvTMdEjs |
|---|---|
| Name | Dactylospontriol monoacetate |
| Alternate Name(s) | 5-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-acetyloxy-2,3-dihydroxybenzoic acid methyl ester Methyl 5-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-acetyloxy-2,3-dihydroxybenzoate Methyl 5-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-acetoxy-2,3-dihydroxy-benzoate Methyl 5-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-acetyloxy-2,3-bis(oxidanyl)benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34O6 |
| InChI | InChI=1S/C25H34O6/c1-14-8-9-19-24(3,4)10-7-11-25(19,5)18(14)13-16-12-17(23(29)30-6)20(27)21(28)22(16)31-15(2)26/h8,12,18-19,27-28H,7,9-11,13H2,1-6H3/t18-,19-,25+/m0/s1 |
| InChIKey | ZSHYSFUYMCQDTR-XHNVNVPESA-N |
| Molecular Weight | 430.541 g/mol |
| SMILES | Oc1c(c(cc(c1OC(=O)C)C[C@@]1([C@@]2([C@@](C(C)(C)CCC2)([H])CC=C1C)C)[H])C(=O)OC)O |
| SPLASH | splash10-0006-0901000000-d8955f6140bb5bf3399d |
| Source of Spectrum | F-48-6677-19 |
| Wiley ID | 1381622 |