| SpectraBase Compound ID | 3RqcfsBEG81 |
|---|---|
| InChI | InChI=1S/C30H44O8/c1-10-17(3)12-13-29(8)19(5)14-25(34-9)30-23(27(35-20(6)31)38-28(30)36-21(7)32)15-22(16-24(29)30)37-26(33)18(4)11-2/h10,15,18-19,22,24-25,27-28H,1,3,11-14,16H2,2,4-9H3/t18?,19-,22-,24+,25+,27+,28-,29-,30?/m0/s1 |
| InChIKey | PRXYABXGJNKXKE-FGRPPZRQSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C30H44O8 |
| Exact Mass | 532.303618 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LOBtQ9CsRJj |
|---|---|
| Name | Casearlucin E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44O8 |
| InChI | InChI=1S/C30H44O8/c1-10-17(3)12-13-29(8)19(5)14-25(34-9)30-23(27(35-20(6)31)38-28(30)36-21(7)32)15-22(16-24(29)30)37-26(33)18(4)11-2/h10,15,18-19,22,24-25,27-28H,1,3,11-14,16H2,2,4-9H3/t18?,19-,22-,24+,25+,27+,28-,29-,30?/m0/s1 |
| InChIKey | PRXYABXGJNKXKE-FGRPPZRQSA-N |
| Molecular Weight | 532.674 g/mol |
| SMILES | C123C([C@](OC(=O)C)(O[C@@]3(OC(=O)C)[H])[H])=C[C@@](C[C@@]1([C@](CCC(C=C)=C)(C)[C@](C[C@]2(OC)[H])(C)[H])[H])(OC(=O)C(CC)C)[H] |
| SPLASH | splash10-052r-9410300000-bba26febe6a2664d4d43 |
| Source of Spectrum | G4-65-106-5 |
| Synonyms | 2-Methylbutanoic acid [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] ester [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetoxy-10-methoxy-7,8-dimethyl-7-(3-methylenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] 2-methylbutanoate [(1R,3S,5R,6aR,7S,8S,10R)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate |
| Wiley ID | 1609411 |