![4.beta.-Hydroxy-6.alpha.-[(p-hydroxybenzoyl)oxy]-dauc-8-ene](/api/spectrum/25QmYAgZ5k/structure.png?h=300&w=458 "4.beta.-Hydroxy-6.alpha.-[(p-hydroxybenzoyl)oxy]-dauc-8-ene")
| SpectraBase Compound ID | DvOAO1nwauv |
|---|---|
| InChI | InChI=1S/C27H36O6/c1-7-18(5)24(29)33-22-15-17(4)14-21(32-25(30)19-8-10-20(28)11-9-19)23-26(22,6)12-13-27(23,31)16(2)3/h7-11,15-16,21-23,28,31H,12-14H2,1-6H3/b18-7+ |
| InChIKey | NUXKLJINNAOFAH-CNHKJKLMSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C27H36O6 |
| Exact Mass | 456.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 25QmYAgZ5k |
|---|---|
| Name | 4.beta.-Hydroxy-6.alpha.-[(p-hydroxybenzoyl)oxy]-dauc-8-ene |
| Alternate Name(s) | 4-Hydroxybenzoic acid [3-hydroxy-6,8a-dimethyl-8-[(E)-2-methyl-1-oxobut-2-enoxy]-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester [3-hydroxy-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate [3-hydroxy-3-isopropyl-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate [6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-oxidanylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36O6 |
| InChI | InChI=1S/C27H36O6/c1-7-18(5)24(29)33-22-15-17(4)14-21(32-25(30)19-8-10-20(28)11-9-19)23-26(22,6)12-13-27(23,31)16(2)3/h7-11,15-16,21-23,28,31H,12-14H2,1-6H3/b18-7+ |
| InChIKey | NUXKLJINNAOFAH-CNHKJKLMSA-N |
| Molecular Weight | 456.579 g/mol |
| SMILES | Oc1ccc(C(OC2CC(=CC(C3(C2C(CC3)(C(C)C)O)C)OC(\C(=C\C)C)=O)C)=O)cc1 |
| SPLASH | splash10-00gr-2931000000-1a355878d86c89cc73f0 |
| Source of Spectrum | X2-49-659-6 |
| Wiley ID | 1601975 |