(Q82990336)

English

(7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid--9,10-dimethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (1/1)

group of stereoisomers with the chemical formula C₃₀H₃₇NO₈S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

571.223988144 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₇NO₈S

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based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(C)C2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C20H21NO4.C10H16O4S/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h3-4,8-9,16H,5-7,10-11H2,1-2H3;7H,3-6H2,1-2H3,(H,12,13,14)/t16-;7?,10-/m01/s1

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InChIKey

ONAQOSCDMHOMAP-GAIIPRBFSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID501424971

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(Q82990336)

(7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid--9,10-dimethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (1/1)

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Identifiers

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