基本信息 |
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产品名称: | 3-ISOMANGOSTIN HYDRATE FORMATE |
CAS: | 925705-36-8 |
英文同义词: | 3-ISOMANGOSTIN HYDRATE FORMATE |
MDL号: | MFCD20260988 |
氢键受体数量: | 8 |
氢键供体数量: | 2 |
Smile: | CC1(CCc2c(cc3c(c2O)c(=O)c4c(o3)cc(c(c4CCC(C)(C)OC=O)OC)O)O1)C.O |
InChi: | InChI=1S/C25H28O8.H2O/c1-24(2,31-12-26)8-7-14-19-17(10-15(27)23(14)30-5)32-18-11-16-13(6-9-25(3,4)33-16)21(28)20(18)22(19)29;/h10-12,27-28H,6-9H2,1-5H3;1H2 |
InChiKey: | InChIKey=KQUSCBSXBQXBQP-UHFFFAOYSA-N |
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