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144490-63-1

Name 19-Epi FK-506
CAS 144490-63-1
Molecular Formula C44H69NO12
Molecular Weight 804.03
MOL File 144490-63-1.mol
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Chemical Properties

Boiling point  871.7±75.0 °C(Predicted)
density  1.19±0.1 g/cm3(Predicted)
pka 9.97±0.70(Predicted)
InChI InChI=1/C44H69NO12/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/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44-/s3
InChIKey QJJXYPPXXYFBGM-ZADLGOIHNA-N
SMILES O([C@H]1C[C@@H](C)[C@]2(C(C(N3CCCC[C@@]3([H])C(O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)C=C(C)C[C@H](C)C[C@H](OC)[C@@]1([H])O2)/C(/C)=C/[C@@H]1CC[C@@H](O)[C@H](OC)C1)=O)=O)=O)O)C |t:30,&1:1,3,5,13,17,18,20,25,33,36,39,45,48,50,r|

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