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Amb33843549

Duplicate ID
CAS Number 100007-55-4
Molecule Name Etoposide glucuronide
SmilesC[C@H]1O[C@@H]2[C@@H](CO1)O[C@@H](O[C@H]1[C@H]3COC(=O)[C@@H]3[C@@H](c3cc4OCOc4cc31)c1cc(OC)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(c1)OC)[C@H](O)[C@H]2O
InchiKeyURCVASXWNJQAEH-HDWVWLDDSA-N
InChi InChI=1S/C35H40O19/c1-11-46-9-20-30(50-11)25(38)27(40)34(51-20)52-28-14-7-17-16(48-10-49-17)6-13(14)21(22-15(28)8-47-33(22)43)12-4-18(44-2)29(19(5-12)45-3)53-35-26(39)23(36)24(37)31(54-35)32(41)42/h4-7,11,15,20-28,30-31,34-40H,8-10H2,1-3H3,(H,41,42)/t11-,15+,20-,21-,22+,23+,24+,25-,26-,27-,28-,30-,31+,34+,35-/m1/s1
Formula C35H40O19
Molecular weight 764.681
Rings 8
logP -1.096
PSA 257.05
MR 171.84
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