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中国新化学物质查询
丁烯英酯(Ingenol 3-mebutate)
丁烯英酯, Indoxyl |A-D-galactopyranoside, 3-O-angeloylingenol, 2-Butenoic acid, 2-methyl-, (1aR,2R,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, (2Z)-, Ingenol 3-angelate, 3-Indolyl-b-D-galactopyranoside, (1S,4S,5S,6R,9R,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0<sup>1,5</sup>.0<sup>10,12</sup>]pentadeca-2,7-dien-4-yl (2Z)-2-methyl-2-butenoate, indican (glucoside), Picato, Ingenol mebutate, (1S,4S,5S,6R,9R,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0.0]pentadeca-2,7-dien-4-yl (2Z)-2-methyl-2-butenoate, Ingenol-3-angelate, 3-Ingenyl angelate, 3-Angeloylingenol
CAS号: 75567-37-2
IUPAC名称: [(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
分子式: C25H34O6
分子量: 430.534
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
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
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