(Q82980775)

English

3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(propan-2-yl)amino]hexopyranoside--hydrogen chloride (1/1)

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

605.2027740319999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₆ClNO₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(C)C)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(C)C)C(O)C(C)O1.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H35NO10.ClH/c1-12(2)31-17-9-20(40-13(3)25(17)33)41-19-11-30(38,14(4)32)10-16-22(19)29(37)24-23(27(16)35)26(34)15-7-6-8-18(39-5)21(15)28(24)36;/h6-8,12-13,17,19-20,25,31,33,35,37-38H,9-11H2,1-5H3;1H/t13?,17?,19-,20?,25?,30-;/m0./s1

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InChIKey

IADHBFAQBJCNGN-YOGQTLAGSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401418193

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NSC number

267211

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(Q82980775)

3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(propan-2-yl)amino]hexopyranoside--hydrogen chloride (1/1)

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