3ALPHA-ACETOXY-12-OXOLITHOCHOLANIC ACID

CAS号
66874-05-3
CCD编号
CCD03478080
分子式
C26 H40 O5
分子量
432.597

基本信息

产品名称: 3ALPHA-ACETOXY-12-OXOLITHOCHOLANIC ACID
CAS: 66874-05-3
英文同义词: 3ALPHA-ACETOXY-12-OXOLITHOCHOLANIC ACID
MDL号: MFCD17215560
氢键受体数量: 5
氢键供体数量: 1
Smile: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
InChi: InChI=1S/C26H40O5/c1-15(5-10-24(29)30)20-8-9-21-19-7-6-17-13-18(31-16(2)27)11-12-25(17,3)22(19)14-23(28)26(20,21)4/h15,17-22H,5-14H2,1-4H3,(H,29,30)/t15-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
InChiKey: InChIKey=HZNDGGABZZJKNK-SIKGHVKHSA-N

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