| SpectraBase Compound ID | 41d4nHSiPBM |
|---|---|
| InChI | InChI=1S/C20H20O6/c1-9-10(2)18(22)16-12(4-6-14-20(16)26-8-24-14)11-3-5-13-19(25-7-23-13)15(11)17(9)21/h3-6,9-10,17-18,21-22H,7-8H2,1-2H3 |
| InChIKey | LEIDLGBHPZABIG-UHFFFAOYSA-N |
| Mol Weight | 356.37 g/mol |
| Molecular Formula | C20H20O6 |
| Exact Mass | 356.125988 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BI2H2c37WP3 |
|---|---|
| Name | steroisomer-3,6-dihydroxy-4,5-dimethyl-(1,2),(7,8)-bis(3',4'-methyledioxybenzocyclooctane |
| CAS Registry Number | 111822-18-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20O6 |
| InChI | InChI=1S/C20H20O6/c1-9-10(2)18(22)16-12(4-6-14-20(16)26-8-24-14)11-3-5-13-19(25-7-23-13)15(11)17(9)21/h3-6,9-10,17-18,21-22H,7-8H2,1-2H3 |
| InChIKey | LEIDLGBHPZABIG-UHFFFAOYSA-N |
| Molecular Weight | 356.374 g/mol |
| SMILES | OC1C(C(C(c2c(-c3c1c1c(cc3)OCO1)ccc1OCOc21)O)C)C |
| SPLASH | splash10-0gc0-0090000000-c568e5cd85a87452b70e |
| Source of Spectrum | F-43-677-23 |
| Synonyms | 3,6-Dihydroxy-4,5-dimethyl-(1,2),(7,8)-bis(3',4'-methylenedioxybenzo)cyclooctane 3,6-Dihydroxy-4,5-dimethyl-(1,2), (7,8)-bis(3',4'-methylenedioxybenzo)cyclooctane 12,13-dimethyl-11,12,13,14-tetrahydro[1,3]benzodioxolo[5',4':3,4]cycloocta[1,2-e][1,3]benzodioxole-11,14-diol Steroisomer-3,6-dihydroxy-4,5-dimethyl-(1,2), (7,8)-bis(3',4'-methyledioxybenzocyclooctane |
| Wiley ID | 1345802 |