(Q105024841)

English

N-[(2S)-1-[(1R,13R,14S,15R)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanimidic acid

group of stereoisomers with the chemical formula C₃₅H₃₈N₂O₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

630.2577307960001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₅H₃₈N₂O₉

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canonical SMILES

COc1ccc(C23Oc4cc5c(c(OC)c4C(O)(C(C(=O)N4CCCC4NC(=O)C(C)C)C2c2ccccc2)C3O)OCO5)cc1

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isomeric SMILES

COc1ccc(C23Oc4cc5c(c(OC)c4[C@](O)([C@@H](C(=O)N4CCC[C@H]4NC(=O)C(C)C)[C@@H]2c2ccccc2)[C@H]3O)OCO5)cc1

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Identifiers

InChI

InChI=1S/C35H38N2O9/c1-19(2)31(38)36-25-11-8-16-37(25)32(39)28-26(20-9-6-5-7-10-20)35(21-12-14-22(42-3)15-13-21)33(40)34(28,41)27-23(46-35)17-24-29(30(27)43-4)45-18-44-24/h5-7,9-10,12-15,17,19,25-26,28,33,40-41H,8,11,16,18H2,1-4H3,(H,36,38)/t25-,26-,28+,33+,34-,35?/m0/s1

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InChIKey

HAFLZKVDLUXIRO-YJBWZJEPSA-N

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PubChem CID

163185214

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HAFLZKVDLUXIRO-YJBWZJEPSA-N

(Q105024841)

N-[(2S)-1-[(1R,13R,14S,15R)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanimidic acid

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Identifiers

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