InChIKey | OBEIXXHHUOSBLA-RTEGWSNMSA-N |
---|---|
Inchi | InChI=1S/C45H56N4O9/c1-7-41(53)22-27-23-44(39(51)56-5,35-29(14-18-48(24-27)25-41)28-12-9-10-13-32(28)46-35)31-20-30-33(21-34(31)55-4)47-36-43(30)16-19-49-17-11-15-42(8-2,37(43)49)38(58-26(3)50)45(36,54)40(52)57-6/h9-13,15,20-21,27,36-38,46-47,53-54H,7-8,14,16-19,22-25H2,1-6H3/t27-,36-,37?,38-,41+,42-,43+,44+,45+/m1/s1 |
SMILES | CC[C@]1(CN2C[C@@H](C[C@@](C3=C(OC)C=C4C([C@]56[C@@H](N4)[C@@](O)(C(OC)=O)[C@H](OC(=O)C)[C@]4(CC)C=CCN(CC5)C64)=C3)(C(OC)=O)C3NC4=CC=CC=C4C=3CC2)C1)O |
LogP | 3.98040 |
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PSA | 162.89000 |
熔点 | 186-188°C |
精确分子量 | 796.40500 |
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