(Q82994578)

English

3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(4-methoxypiperidin-1-yl)hexopyranoside--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₃₃H₄₂ClNO₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

663.2446388440001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂ClNO₁₁

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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(N2CCC(OC)CC2)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)CC3O[C@H]1C[C@H](N2CCC(OC)CC2)[C@H](O)[C@H](C)O1.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C33H41NO11.ClH/c1-15-28(36)20(34-10-8-17(42-3)9-11-34)12-23(44-15)45-22-14-33(41,16(2)35)13-19-25(22)32(40)27-26(30(19)38)29(37)18-6-5-7-21(43-4)24(18)31(27)39;/h5-7,15-17,20,22-23,28,35-36,38,40-41H,8-14H2,1-4H3;1H/t15-,16?,20-,22?,23-,28+,33-;/m0./s1

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InChIKey

URYQFBKZFJQZJO-GCPFDLRKSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID901427789

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(Q82994578)

3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(4-methoxypiperidin-1-yl)hexopyranoside--hydrogen chloride (1/1)

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