METHYL 3-KETOALLOCHOLATE

CAS号
14772-92-0
CCD编号
CCD00582830
分子式
C25 H40 O5
分子量
420.586

基本信息

产品名称: METHYL 3-KETOALLOCHOLATE
CAS: 14772-92-0
英文同义词: METHYL 3-KETO-7ALPHA,12ALPHA-DIHYDROXY-5ALPHA-CHOLANOATE ; METHYL 3-KETO-7A,12A-DIHYDROXY-5A-CHOLANOATE ; METHYL 3-KETOALLOCHOLATE
MDL号: MFCD07369531
氢键受体数量: 5
氢键供体数量: 2
Smile: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)O)C
InChi: InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-21,23,27-28H,5-13H2,1-4H3/t14-,15-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChiKey: InChIKey=CIZOGAIBGCZRCL-SVHSVDIPSA-N

性质

安全信息

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