| SpectraBase Compound ID | 81C4otGoiJU |
|---|---|
| InChI | InChI=1S/C24H36O9/c1-11(2)10-16(26)31-19-13(5)8-9-15(25)24(7,30)21(33-22(28)12(3)4)20-17(18(19)27)14(6)23(29)32-20/h11-13,17-21,27,30H,6,8-10H2,1-5,7H3/t13-,17-,18-,19-,20+,21-,24+/m1/s1 |
| InChIKey | NCFVPKXLWPGJGX-PIVDRDHISA-N |
| Mol Weight | 468.5 g/mol |
| Molecular Formula | C24H36O9 |
| Exact Mass | 468.235933 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | q0jbGiourK |
|---|---|
| Name | 4.beta.,8.alpha.-Dihydroxy-5.beta.-(isobutyryloxy)-9.beta.-(3'-methylbutyryloxy)-3-oxo-Germacran-7.beta.,12.alpha.-olide |
| Alternate Name(s) | 3-Methylbutanoic acid [(3aR,4R,5R,6R,10R,11R,11aS)-4,10-dihydroxy-6,10-dimethyl-3-methylene-11-(2-methyl-1-oxopropoxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] ester [(3aR,4R,5R,6R,10R,11R,11aS)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] 3-methylbutanoate [(3aR,4R,5R,6R,10R,11R,11aS)-4,10-dihydroxy-6,10-dimethyl-3-methylene-11-(2-methylpropanoyloxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] 3-methylbutanoate [(3aR,4R,5R,6R,10R,11R,11aS)-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-4,10-bis(oxidanyl)-2,9-bis(oxidanylidene)-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] 3-methylbutanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H36O9 |
| InChI | InChI=1S/C24H36O9/c1-11(2)10-16(26)31-19-13(5)8-9-15(25)24(7,30)21(33-22(28)12(3)4)20-17(18(19)27)14(6)23(29)32-20/h11-13,17-21,27,30H,6,8-10H2,1-5,7H3/t13-,17-,18-,19-,20+,21-,24+/m1/s1 |
| InChIKey | NCFVPKXLWPGJGX-PIVDRDHISA-N |
| Molecular Weight | 468.543 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@]([C@]([C@](C(CC[C@]([C@]1(OC(=O)CC(C)C)[H])(C)[H])=O)(O)C)(OC(=O)C(C)C)[H])(OC(C2=C)=O)[H])[H])[H] |
| SPLASH | splash10-102c-1950000000-623f226097ab9884be4d |
| Source of Spectrum | G4-70-834-4 |
| Wiley ID | 1694707 |