| SpectraBase Compound ID | q840dgFUHp |
|---|---|
| InChI | InChI=1S/C21H26O7/c1-10(2)12-6-7-21(9-26-20(23)28-21)19-16(12)17-14(27-19)8-13(24-4)15(11(3)22)18(17)25-5/h8,10,12,16,19H,6-7,9H2,1-5H3/t12-,16+,19-,21+/m1/s1 |
| InChIKey | DSDDEQXGGKQOQF-KDBGMYCZSA-N |
| Mol Weight | 390.43 g/mol |
| Molecular Formula | C21H26O7 |
| Exact Mass | 390.167853 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fz2j8inHIv3 |
|---|---|
| Name | rac-(1R,4S,4aR,9bS)-8-Acetyl-7,9-dimethoxy-1-(1-methylethyl)-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-spiro-4'-dioxoran-2'-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26O7 |
| InChI | InChI=1S/C21H26O7/c1-10(2)12-6-7-21(9-26-20(23)28-21)19-16(12)17-14(27-19)8-13(24-4)15(11(3)22)18(17)25-5/h8,10,12,16,19H,6-7,9H2,1-5H3/t12-,16+,19-,21+/m1/s1 |
| InChIKey | DSDDEQXGGKQOQF-KDBGMYCZSA-N |
| Molecular Weight | 390.432 g/mol |
| SMILES | c12[C@]3([C@@]([C@]4(OC(=O)OC4)CC[C@@]3(C(C)C)[H])([H])Oc1cc(OC)c(c2OC)C(=O)C)[H] |
| SPLASH | splash10-004i-0009000000-b7a488463ffeed0e6381 |
| Source of Spectrum | J-86-1223-26 |
| Synonyms | rac-(1R,4S,4aR,9bS)-8-Acetyl-7,9-dimethoxy-4-methyl-1-(1-methylethyl)-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-spiro-4'-dioxoran-2'-one (1'R,4S,4'aR,9'bS)-8'-acetyl-7',9'-dimethoxy-1'-propan-2-yl-2-spiro[1,3-dioxolane-4,4'-2,3,4a,9b-tetrahydro-1H-dibenzofuran]one (1'R,4S,4'aR,9'bS)-8'-acetyl-7',9'-dimethoxy-1'-propan-2-ylspiro[1,3-dioxolane-4,4'-2,3,4a,9b-tetrahydro-1H-dibenzofuran]-2-one (1'R,4S,4'aR,9'bS)-8'-ethanoyl-7',9'-dimethoxy-1'-propan-2-yl-spiro[1,3-dioxolane-4,4'-2,3,4a,9b-tetrahydro-1H-dibenzofuran]-2-one |
| Wiley ID | 1536353 |