![Oxireno[7,8]cyclodeca[1,2-b]furan-3-carboxylic acid, 4-(acetyloxy)-5-[3-(acetyloxy)-2-hydroxy-2-methyl-1-oxobutoxy]-1a,4,5,5a,6,7,8a,10a-octahydro-10-methyl-6-methylene-7-oxo-, methyl ester, [1aR-[1aR*,2E,4S*,5S*(2R*,3S*),5aS*,8aR*,9E,10aS*]]-](/api/spectrum/3Jnl4U3XMp0/structure.png?h=300&w=458 "Oxireno[7,8]cyclodeca[1,2-b]furan-3-carboxylic acid, 4-(acetyloxy)-5-[3-(acetyloxy)-2-hydroxy-2-methyl-1-oxobutoxy]-1a,4,5,5a,6,7,8a,10a-octahydro-10-methyl-6-methylene-7-oxo-, methyl ester, [1aR-[1aR*,2E,4S*,5S*(2R*,3S*),5aS*,8aR*,9E,10aS*]]-")
| SpectraBase Compound ID | GbCRnWaT21W |
|---|---|
| InChI | InChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3/b10-8-,15-9+ |
| InChIKey | MMVDOOAKJHDAMB-MNSIHRJDSA-N |
| Mol Weight | 522.5 g/mol |
| Molecular Formula | C25H30O12 |
| Exact Mass | 522.173726 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Jnl4U3XMp0 |
|---|---|
| Name | Oxireno[7,8]cyclodeca[1,2-b]furan-3-carboxylic acid, 4-(acetyloxy)-5-[3-(acetyloxy)-2-hydroxy-2-methyl-1-oxobutoxy]-1a,4,5,5a,6,7,8a,10a-octahydro-10-methyl-6-methylene-7-oxo-, methyl ester, [1aR-[1aR*,2E,4S*,5S*(2R*,3S*),5aS*,8aR*,9E,10aS*]]- |
| Alternate Name(s) | Melampodinin NSC 294600 |
| CAS Registry Number | 60295-53-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30O12 |
| InChI | InChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3/b10-8-,15-9+ |
| InChIKey | MMVDOOAKJHDAMB-MNSIHRJDSA-N |
| Molecular Weight | 522.503 g/mol |
| SMILES | OC(C(=O)OC1C2C(\C=C\(C)C3C(\C=C/(C1OC(C)=O)C(OC)=O)O3)OC(C2=C)=O)(C(OC(C)=O)C)C |
| SPLASH | splash10-0a4r-1490000000-6d76bfa4d1ca5d187003 |
| Source of Spectrum | J-41-3959-0 |
| Wiley ID | 1402210 |