(Q82950531)

English

[14-Ethyl-5,9a,10-trihydroxy-4,6,8,11-tetramethoxydodecahydro-5,7-methano-1,4a-(methanoiminomethano)dibenzo[a,d][7]annulen-1(2H)-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

group of stereoisomers with the chemical formula C₃₇H₅₂N₂O₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

700.357110484 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₂N₂O₁₁

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based on heuristic

inferred from SMILES

canonical SMILES

CCN1CC2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(OC)C3(C1)C2C(OC)C(O)C1(O)CC(OC)C2CC3(O)C1C2OC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCN1CC23[C@@H](OC)CC[C@@](COC(=O)c4ccccc4N4C(=O)C[C@H](C)C4=O)(C1)[C@H]2[C@H](OC)[C@H](O)[C@@]1(O)C[C@H](OC)C2C[C@]3(O)C1C2OC

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C37H52N2O11/c1-7-38-17-34(19-50-33(43)21-10-8-9-11-23(21)39-26(40)14-20(2)32(39)42)13-12-25(47-4)35(18-38)29(34)28(49-6)31(41)36(44)16-24(46-3)22-15-37(35,45)30(36)27(22)48-5/h8-11,20,22,24-25,27-31,41,44-45H,7,12-19H2,1-6H3/t20-,22?,24-,25-,27?,28-,29+,30?,31-,34-,35?,36+,37-/m0/s1

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InChIKey

DOSFEZNJYOENSO-HCKXDYDGSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101395475

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(Q82950531)

[14-Ethyl-5,9a,10-trihydroxy-4,6,8,11-tetramethoxydodecahydro-5,7-methano-1,4a-(methanoiminomethano)dibenzo[a,d][7]annulen-1(2H)-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

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