InChIKey | ZHYGVVKSAGDVDY-FQNQQLTBSA-N |
---|---|
Inchi | InChI=1S/C50H77NO13/c1-29-15-11-10-12-16-30(2)40(53)27-37-20-18-35(7)50(60,64-37)47(57)48(58)51-22-14-13-17-38(51)49(59)63-42(32(4)25-36-19-21-39(52)43(26-36)61-8)28-41(54)31(3)24-34(6)45(56)46(62-9)44(55)33(5)23-29/h10-12,15-16,24,29,31-33,35-40,42-43,45-46,52-53,56,60H,13-14,17-23,25-28H2,1-9H3/b12-10+,15-11+,30-16-,34-24+/t29-,31-,32-,33-,35-,36+,37-,38+,39-,40+,42+,43-,45-,46+,50-/m1/s1 |
SMILES | CO[C@H]1[C@H](O)CC[C@@H](C[C@H]([C@@H]2CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@@H](O)C[C@@H]3O[C@@]([C@@H](CC3)C)(O)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C)C1 |c:16,t:31,33,35,&1:2,3,7,9,10,14,19,21,26,29,38,41,43,44,58| |
LogP | 5.46440 |
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PSA | 206.43000 |
熔点 | 133-138°C |
精确分子量 | 899.53900 |
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