| SpectraBase Compound ID | IGAS3noR8bZ |
|---|---|
| InChI | InChI=1S/C18H24O7/c1-17-7-13(9-3-5-24-8-9)25-16(22)18(17,23)4-2-10-11(19)6-12(20)15(21)14(10)17/h3,5,8,10-15,19-21,23H,2,4,6-7H2,1H3/t10?,11-,12+,13+,14+,15+,17?,18?/m0/s1 |
| InChIKey | ZINGMSLHDAUDDW-YVHDXGIRSA-N |
| Mol Weight | 352.38 g/mol |
| Molecular Formula | C18H24O7 |
| Exact Mass | 352.152203 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1pnVD02kJU |
|---|---|
| Name | Malabarolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H24O7 |
| InChI | InChI=1S/C18H24O7/c1-17-7-13(9-3-5-24-8-9)25-16(22)18(17,23)4-2-10-11(19)6-12(20)15(21)14(10)17/h3,5,8,10-15,19-21,23H,2,4,6-7H2,1H3/t10?,11-,12+,13+,14+,15+,17?,18?/m0/s1 |
| InChIKey | ZINGMSLHDAUDDW-YVHDXGIRSA-N |
| Molecular Weight | 352.383 g/mol |
| SMILES | O[C@]1(C[C@]([C@]([C@]2(C1CCC1(C2(C[C@@](OC1=O)(c1cocc1)[H])C)O)[H])(O)[H])(O)[H])[H] |
| SPLASH | splash10-00ba-4912000000-9dec69a06938efc34b55 |
| Source of Spectrum | PS-0-0-67 |
| Synonyms | (2R,7S,9R,10S,10aS)-2-(3-furanyl)-4a,7,9,10-tetrahydroxy-10b-methyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f][2]benzopyran-4-one (2R,7S,9R,10S,10aS)-2-(3-furyl)-4a,7,9,10-tetrahydroxy-10b-methyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-4-one (2R,7S,9R,10S,10aS)-2-(3-furyl)-4a,7,9,10-tetrahydroxy-10b-methyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenz[f]isochromen-4-one (2R,7S,9R,10S,10aS)-2-(furan-3-yl)-10b-methyl-4a,7,9,10-tetrakis(oxidanyl)-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-4-one (2R,7S,9R,10S,10aS)-2-(furan-3-yl)-4a,7,9,10-tetrahydroxy-10b-methyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-4-one |
| Wiley ID | 551567 |