(Q82650065)

English

(8Z,14E,24E)-5,6,17,19-Tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(4-methylanilino)methylidene]-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate

group of stereoisomers with the chemical formula C₄₅H₅₄N₂O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

814.3676751680001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₅H₅₄N₂O₁₂

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based on heuristic

inferred from SMILES

canonical SMILES

COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C\Nc2ccc(C)cc2)C(=C4O)NC(=O)C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C\Nc2ccc(C)cc2)C(=C4O)NC(=O)C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C45H54N2O12/c1-21-14-16-29(17-15-21)46-20-30-35-40(53)33-32(39(30)52)34-42(27(7)38(33)51)59-45(9,43(34)54)57-19-18-31(56-10)24(4)41(58-28(8)48)26(6)37(50)25(5)36(49)22(2)12-11-13-23(3)44(55)47-35/h11-20,22,24-26,31,36-37,41,46,49-51,53H,1-10H3,(H,47,55)/b12-11+,19-18+,23-13?,30-20-

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InChIKey

ISYHUUOAUGOKEZ-SPNLCXEDSA-N

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DSSTOX compound identifier

DTXCID80664381

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NSC number

144106

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(Q82650065)

(8Z,14E,24E)-5,6,17,19-Tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(4-methylanilino)methylidene]-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate

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