| SpectraBase Compound ID | HBUSzBO8mAi |
|---|---|
| InChI | InChI=1S/C31H44O9/c1-10-17(3)12-13-30(9)19(5)14-26(36-20(6)32)31-24(28(37-21(7)33)40-29(31)38-22(8)34)15-23(16-25(30)31)39-27(35)18(4)11-2/h10,12,15,18-19,23,25-26,28-29H,1,11,13-14,16H2,2-9H3/b17-12+/t18?,19-,23+,25+,26+,28+,29-,30-,31?/m0/s1 |
| InChIKey | MGXDVAJVXQUVIN-VXPWHXKPSA-N |
| Mol Weight | 560.7 g/mol |
| Molecular Formula | C31H44O9 |
| Exact Mass | 560.298533 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FMrYJ8uEJIu |
|---|---|
| Name | Casearlucin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H44O9 |
| InChI | InChI=1S/C31H44O9/c1-10-17(3)12-13-30(9)19(5)14-26(36-20(6)32)31-24(28(37-21(7)33)40-29(31)38-22(8)34)15-23(16-25(30)31)39-27(35)18(4)11-2/h10,12,15,18-19,23,25-26,28-29H,1,11,13-14,16H2,2-9H3/b17-12+/t18?,19-,23+,25+,26+,28+,29-,30-,31?/m0/s1 |
| InChIKey | MGXDVAJVXQUVIN-VXPWHXKPSA-N |
| Molecular Weight | 560.684 g/mol |
| SMILES | C123C([C@](OC(=O)C)(O[C@@]3(OC(=O)C)[H])[H])=C[C@](C[C@@]1([C@](C\C=C\(C=C)C)(C)[C@](C[C@]2(OC(=O)C)[H])(C)[H])[H])(OC(=O)C(CC)C)[H] |
| SPLASH | splash10-0a4r-9411310000-ba4282b43d8dcedccdd8 |
| Source of Spectrum | G4-65-106-3 |
| Synonyms | 2-Methylbutanoic acid [(1R,3S,5S,6aR,7S,8S,10R)-1,3,10-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] ester [(1R,3S,5S,6aR,7S,8S,10R)-1,3,10-triacetoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] 2-methylbutanoate [(1R,3S,5S,6aR,7S,8S,10R)-1,3,10-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate |
| Wiley ID | 1609413 |