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| CAS No.: | 76-78-8 |
| Molecular Formula | C₂₂H₂₈O₆ |
| Molecular Weight | 388.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Diterpenoids |
IUPAC Name: (1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
InChI: InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1
InChIKey: IOSXSVZRTUWBHC-LBTVDEKVSA-N
Canonical SMILES: CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC
Isomeric SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)OC
Synonyms: quassin; 76-78-8; Quassine; 2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione; QP1YAK6QGK; Quassin (~90%); CHEBI:8692; Quassin (>95%); …
Botanical Source:
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