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| CAS No.: | 54706-99-9 |
| Molecular Formula | C₂₀H₂₈O₄ |
| Molecular Weight | 332.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Diterpenoids |
IUPAC Name: (1S,4S,5S,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one
InChI: InChI=1S/C20H28O4/c1-9-6-12-14-13(18(14,4)5)7-11(3)19(17(12)23)8-10(2)16(22)20(19,24)15(9)21/h6,8,11-16,21-22,24H,7H2,1-5H3/t11-,12+,13-,14+,15-,16+,19+,20+/m1/s1
InChIKey: FOSYZKSOJUQLTD-NHPMXQBPSA-N
Canonical SMILES: CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)O)C
Isomeric SMILES: C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4O)C)O)O)C
Synonyms: 20-Deoxyingenol; 54706-99-9; (1S,4S,5S,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one; 20-Deoxyingenol?; trihydroxy(pentamethyl)[?]one; CHEMBL4285863; SCHEMBL15589561; HY-N0866; …
Botanical Source: Euphorbia lathyris L
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