OCW

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Summary

Name:methyl (6~{a}~{R},7~{S},10~{a}~{R})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{H}-tetracene-2-carboxylate
Formula:C24 H22 O11
Formal charge:0
Molecular weight:486.425 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl (6~{a}~{R},7~{S},10~{a}~{R})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{H}-tetracene-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1
InChIKeyInChI1.03QSPIPUXWSNFXCK-AGILITTLSA-N
SMILES_CANONICALCACTVS3.385COC(=O)c1c(C)c2c(O)c3C(=O)[C@]4(OC)C(=O)C=C(OC)[C@@H](O)[C@]4(O)C(=O)c3cc2cc1OC
SMILESCACTVS3.385COC(=O)c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[CH](O)[C]4(O)C(=O)c3cc2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC
SMILESOpenEye OEToolkits2.0.7Cc1c2c(cc3c(c2O)C(=O)C4(C(=O)C=C(C(C4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC
171916
PDB entries from 2020-12-02