CABAZITAXEL METABOLITE M07

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H57NO15
Molecular Weight	851.9318
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](OC)[C@@]3(C)C(=O)[C@H](OC)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CO)C6=CC=CC=C6

InChI

InChIKey=NRLSMBCIBVUICA-OAGWZNDDSA-N

InChI=1S/C45H57NO15/c1-24-28(58-39(52)33(49)32(26-16-12-10-13-17-26)46-40(53)61-41(3,4)22-47)21-45(54)37(59-38(51)27-18-14-11-15-19-27)35-43(7,36(50)34(56-9)31(24)42(45,5)6)29(55-8)20-30-44(35,23-57-30)60-25(2)48/h10-19,28-30,32-35,37,47,49,54H,20-23H2,1-9H3,(H,46,53)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1

HIDE SMILES / InChI