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10-脱乙酰基巴卡丁Ⅲ
10-DEACETYLBACCATIN III
10-脱乙酰巴卡丁 III, 10-Deacetylbaccatin III
CAS号: 92999-93-4
IUPAC名称: (4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl) benzoate
分子式: C29H36O10
分子量: 544.59000
InChI: InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3
InChIKey: YWLXLRUDGLRYDR-UHFFFAOYSA-N
SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
EINECS: 暂无
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