Stereochemistry | ABSOLUTE |
Molecular Formula | C46H56N4O9.H2O4S |
Molecular Weight | 907.037 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC[C@H]1C[C@@H]2CN(C1)CCC3=C(NC4=C3C=CC=C4)[C@@](C2)(C(=O)OC)C5=CC6=C(C=C5OC)N(C=O)[C@@H]7[C@]68CCN9CC=C[C@](CC)([C@@H]89)[C@@H](OC(C)=O)[C@]7(O)C(=O)OC
InChI
InChIKey=BCXOZISMDZTYHW-IFQBWSDRSA-N
InChI=1S/C46H56N4O9.H2O4S/c1-7-28-20-29-23-45(41(53)57-5,37-31(14-18-48(24-28)25-29)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)56-4)50(26-51)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(59-27(3)52)46(39,55)42(54)58-6;1-5(2,3)4/h9-13,15,21-22,26,28-29,38-40,47,55H,7-8,14,16-20,23-25H2,1-6H3;(H2,1,2,3,4)/t28-,29-,38-,39+,40+,43+,44+,45-,46-;/m0./s1