12-DEHYDROCHOLIC ACID DIACETATE

CAS号
CCD编号
CCD00116464
分子式
C28 H42 O7
分子量
490.633

基本信息

产品名称: 12-DEHYDROCHOLIC ACID DIACETATE
英文同义词: 12-DEHYDROCHOLIC ACID DIACETATE ; 5BETA-CHOLANIC ACID-3ALPHA,7ALPHA-DIOL-12-ONE DIACETATE
MDL号: MFCD00271371
氢键受体数量: 7
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]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C
InChi: InChI=1S/C28H42O7/c1-15(6-9-25(32)33)20-7-8-21-26-22(14-24(31)28(20,21)5)27(4)11-10-19(34-16(2)29)12-18(27)13-23(26)35-17(3)30/h15,18-23,26H,6-14H2,1-5H3,(H,32,33)/t15-,18+,19-,20-,21+,22+,23-,26+,27+,28-/m1/s1
InChiKey: InChIKey=JHNRSJOZIXFLTC-MEJKRTSBSA-N

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