ecteinascidin 743
Molecular Formula:
C39H43N3O11S
InChI: InChI=1/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22?,23-,29?,30+,36-,37?,39?/m0/s1
InChIKey: InChIKey=PKVRCIRHQMSYJX-XNUMKGNVBR
SMILES: CC1=C(C(=C2C3C4C5C6=C(C(N4C(C(N3C)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC
Names:
ecteinascidin 743
NSC648766
114899-77-3
Registries:
PubChem CID 5459213
PubChem ID 8142313
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