(Q82972749)

English

3,5,12-Trihydroxy-10-methoxy-3-(methoxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₂₈H₃₂ClNO₁₁

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

593.166388524 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₂ClNO₁₁

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based on heuristic

inferred from SMILES

canonical SMILES

COCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O.Cl

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H31NO11.ClH/c1-11-23(31)14(29)7-18(39-11)40-16-9-28(36,17(30)10-37-2)8-13-20(16)27(35)22-21(25(13)33)24(32)12-5-4-6-15(38-3)19(12)26(22)34;/h4-6,11,14,16,18,23,31,33,35-36H,7-10,29H2,1-3H3;1H/t11?,14?,16-,18?,23?,28-;/m0./s1

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InChIKey

NFAUERLESUWLDV-IBOVKBSISA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID001412450

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NSC number

275647

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(Q82972749)

3,5,12-Trihydroxy-10-methoxy-3-(methoxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)

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Identifiers

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