(Q82954531)

English

Methyl 18-{[4-(butan-2-yl)-3,5-dimethoxybenzoyl]oxy}-11,17-dimethoxyyohimban-16-carboxylate

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

634.325416432 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₆N₂O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)c1c(OC)cc(C(=O)OC2CC3CN4CCc5c([nH]c6cc(OC)ccc56)C4CC3C(C(=O)OC)C2OC)cc1OC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC(C)c1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc1OC

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C36H46N2O8/c1-8-19(2)31-28(42-4)13-20(14-29(31)43-5)35(39)46-30-15-21-18-38-12-11-24-23-10-9-22(41-3)16-26(23)37-33(24)27(38)17-25(21)32(34(30)44-6)36(40)45-7/h9-10,13-14,16,19,21,25,27,30,32,34,37H,8,11-12,15,17-18H2,1-7H3/t19?,21-,25+,27-,30-,32+,34+/m1/s1

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InChIKey

QAPXTTCEFRWEQB-JAUGYRKISA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID901398623

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(Q82954531)

Methyl 18-{[4-(butan-2-yl)-3,5-dimethoxybenzoyl]oxy}-11,17-dimethoxyyohimban-16-carboxylate

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Identifiers

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