(Q105112115)

English

methyl (1R,9S,10S,12S,13Z,16S,17S)-13-ethylidene-8-methyl-18-(3,4,5-trimethoxybenzoyl)oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

group of stereoisomers with the chemical formula C₃₂H₃₆N₂O₇

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instance of

group of stereoisomers

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1 reference

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560.252251492 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₆N₂O₇

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canonical SMILES

O=C(OC1C23C=4C=CC=CC4N(C)C3C5N6CC(=CC)C(C5)C1(C(=O)OC)C6C2)C7=CC(OC)=C(OC)C(OC)=C7

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isomeric SMILES

C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)C(OC(=O)c4cc(OC)c(OC)c(OC)c4)[C@]4(C[C@H]21)c1ccccc1N(C)[C@H]34

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Identifiers

InChI

InChI=1S/C32H36N2O7/c1-7-17-16-34-22-14-20(17)32(30(36)40-6)25(34)15-31(19-10-8-9-11-21(19)33(2)27(22)31)29(32)41-28(35)18-12-23(37-3)26(39-5)24(13-18)38-4/h7-13,20,22,25,27,29H,14-16H2,1-6H3/b17-7+/t20-,22-,25-,27+,29?,31+,32-/m0/s1

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InChIKey

IFFBQMRDVLQSPU-QVUSUWOHSA-N

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFFBQMRDVLQSPU-QVUSUWOHSA-N

1 reference

(Q105112115)

methyl (1R,9S,10S,12S,13Z,16S,17S)-13-ethylidene-8-methyl-18-(3,4,5-trimethoxybenzoyl)oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

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