二氢-FK 506

CAS号
104987-30-6
CCD编号
CCD05636432
分子式
C44 H71 N O12
分子量
806.04

基本信息

产品名称: 二氢-FK 506
CAS: 104987-30-6
中文同义词: 二氢-FK 506
英文同义词: DIHYDRO-FK 506 ; DIHYDROTACROLIMUS
MDL号: MFCD20487791
氢键受体数量: 13
氢键供体数量: 3
Smile: CCC[C@@H]1/C=C(/C[C@@H](C[C@@H](C2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)\C
InChi: InChI=1S/C44H71NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h19,21,26,28-34,36-40,46-47,52H,10-18,20,22-24H2,1-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40?,44+/m0/s1
InChiKey: InChIKey=RQYGKZGKXDOUEO-HHRHWXIDSA-N

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