BOUVARDIN METABOLITE B
Molecular Formula:
C39H46N6O11
InChI: InChI=1/C39H46N6O11/c1-19-34(50)41-20(2)37(53)43(4)26(15-22-7-13-28(46)30(48)17-22)36(52)42-21(3)38(54)45(6)32-33(49)24-9-11-25(12-10-24)56-31-18-23(8-14-29(31)47)16-27(35(51)40-19)44(5)39(32)55/h7-14,17-21,26-27,32-33,46-49H,15-16H2,1-6H3,(H,40,51)(H,41,50)(H,42,52)/t19u,20u,21u,26u,27?,32?,33-/m0/s1/f/h40-42H
InChIKey: InChIKey=BTOAVFVQMFWGNI-FTMZZYFCDS
SMILES: CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC(=C(C=C5)O)O)C)C
Names:
BOUVARDIN METABOLITE B
NSC328421
Registries:
PubChem CID 5458718
PubChem ID 8141224
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