20-O-Isobutyrylingenol
[CAS# 74690-91-8]

Identification

• Name: 20-O-Isobutyrylingenol
• Synonyms: Ingenol-20-Isobutyrate; Propanoic Acid, 2-Methyl-, (1A,2,5,5A,6,9,10,10A-Octahydro-5,5A,6-Trihydroxy-1,1,7,9-Tetramethyl-11-Oxo-1H-2,8A-Methanocyclopenta(A)Cyclopropa(E)Cyclodecen-4-Yl)Methyl Ester, (1Ar-(1Aalpha,2Alpha,5Beta,5Abeta,6Beta,8Aalpha,9Alpha,10Aalpha))-; Propanoic Acid, 2-Methyl-, (1A,2,5,5A,6,9,10,10A-Octahydro-5,5A,6-Trihydroxy-1,1,7,9-Tetramethyl-11-Oxo-1H-2,8A-Methanocyclopenta(A)Cyclopropa(E)Cyclodecen-4-Yl)Methyl Ester, (1Ar-(1Aalpha,2Beta,5Beta,5Abeta,6Beta,8Aalpha,9Alpha,10Aalpha))-
• Molecular Formula: C₂₄H₃₄O₆
• Molecular Weight: 418.53
• CAS Registry Number: 74690-91-8
• SMILES: [C@H]12[C@H](C1(C)C)C[C@@H](C34C(=O)[C@@H]2C=C([C@H](O)[C@@]3(O)[C@H](O)C(=C4)C)COC(=O)C(C)C)C
• InChI: 1S/C24H34O6/c1-11(2)21(28)30-10-14-8-15-17-16(22(17,5)6)7-13(4)23(20(15)27)9-12(3)18(25)24(23,29)19(14)26/h8-9,11,13,15-19,25-26,29H,7,10H2,1-6H3/t13-,15+,16+,17-,18+,19-,23?,24-/m0/s1
• InChIKey: XLAPKZMXOAISFW-MGMYKFMNSA-N