| SpectraBase Compound ID | IcPMRRGPn04 |
|---|---|
| InChI | InChI=1S/C20H30O6/c1-12-5-8-19-14(3-4-15(21)20(19,24)11-26-17(19)23)18(12,2)7-6-13-9-16(22)25-10-13/h9,12,14-15,17,21,23-24H,3-8,10-11H2,1-2H3/t12-,14-,15+,17-,18+,19+,20-/m0/s1 |
| InChIKey | IXIMUJVTRALEPX-OSTGRKGPSA-N |
| Mol Weight | 366.45 g/mol |
| Molecular Formula | C20H30O6 |
| Exact Mass | 366.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 41b2pnCMYX6 |
|---|---|
| Name | 3-[2-[(1S,3aS,4R,6aS,7R,8S,10aS)-1,3a,4-trihydroxy-7,8-dimethyl-3,4,5,6,6a,8,9,10-octahydro-1H-benzo[d]isobenzofuran-7-yl]ethyl]-2H-furan-5-one |
| Alternate Name(s) | 3-[2-[(1S,3aS,4R,6aS,7R,8S,10aS)-1,3a,4-trihydroxy-7,8-dimethyl-3,4,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-7-yl]ethyl]-2H-furan-5-one 3-[2-[(1S,3aS,4R,6aS,7R,8S,10aS)-1,3a,4-trihydroxy-7,8-dimethyl-3,4,5,6,6a,8,9,10-octahydro-1H-benz[d]isobenzofuran-7-yl]ethyl]-2H-furan-5-one 3-[2-[(1S,3aS,4R,6aS,7R,8S,10aS)-7,8-dimethyl-1,3a,4-tris(oxidanyl)-3,4,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-7-yl]ethyl]-2H-furan-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O6 |
| InChI | InChI=1S/C20H30O6/c1-12-5-8-19-14(3-4-15(21)20(19,24)11-26-17(19)23)18(12,2)7-6-13-9-16(22)25-10-13/h9,12,14-15,17,21,23-24H,3-8,10-11H2,1-2H3/t12-,14-,15+,17-,18+,19+,20-/m0/s1 |
| InChIKey | IXIMUJVTRALEPX-OSTGRKGPSA-N |
| Molecular Weight | 366.454 g/mol |
| SMILES | O[C@@]1([C@@]23[C@@]([C@@](CC[C@]3([C@@](CCC3=CC(=O)OC3)(C)[C@](CC2)(C)[H])[H])(O)[H])(CO1)O)[H] |
| SPLASH | splash10-03di-4931000000-3dd19b8e7b747f5276ff |
| Source of Spectrum | G4-59-468-5 |
| Wiley ID | 1606310 |