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| CAS No.: | 75567-37-2 |
| Molecular Formula | C₂₅H₃₄O₆ |
| Molecular Weight | 430.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Diterpenoids |
IUPAC Name: [(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
InChI: InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1
InChIKey: VDJHFHXMUKFKET-WDUFCVPESA-N
Canonical SMILES: CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C
Isomeric SMILES: C/C=C(/C)C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C
Synonyms: Ingenol mebutate; Ingenol 3-angelate; Picato; 3-Angeloylingenol; 3-Ingenyl angelate; PEP-005; PEP005; 75567-37-2; …
Botanical Source: Euphorbia lathyris L
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