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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H35NO9
Molecular Weight 541.5895
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NCX-1022

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C5=CC=C(CO[N+]([O-])=O)C=C5

InChI

InChIKey=UBANCVOKRLKBGJ-KGWLDMEJSA-N
InChI=1S/C29H35NO9/c1-27-11-9-20(31)13-19(27)7-8-21-22-10-12-29(35,28(22,2)14-23(32)25(21)27)24(33)16-38-26(34)18-5-3-17(4-6-18)15-39-30(36)37/h3-6,13,21-23,25,32,35H,7-12,14-16H2,1-2H3/t21-,22-,23-,25+,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Approval Year