(Q82924142)

English

1-(9,12-Dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

group of stereoisomers with the chemical formula C₃₁H₄₂N₂O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

538.3042870639999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₂N₂O₆

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based on heuristic

inferred from SMILES

canonical SMILES

Cc1cc(C(=O)OC(C)C2=CCC34OCCN(C)CC23CC(O)C23OC5(O)CCC2(C)C(CC=C43)C5)c(C)[nH]1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1cc(C(=O)OC(C)C2=CC[C@@]34OCCN(C)CC23C[C@@H](O)C23O[C@@]5(O)CC[C@@]2(C)[C@H](CC=C34)C5)c(C)[nH]1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C31H42N2O6/c1-18-14-22(19(2)32-18)26(35)38-20(3)23-8-9-30-24-7-6-21-15-29(36)11-10-27(21,4)31(24,39-29)25(34)16-28(23,30)17-33(5)12-13-37-30/h7-8,14,20-21,25,32,34,36H,6,9-13,15-17H2,1-5H3/t20?,21-,25-,27+,28?,29+,30+,31?/m1/s1

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InChIKey

FEJYTCQEXYRBQW-NARMBRKISA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID001374822

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(Q82924142)

1-(9,12-Dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

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Identifiers

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