(Q82650301)

English

(14E,24E)-8-[(Diethylamino)methyl]-6,9,17,19-tetrahydroxy-5,23-dimethoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate

group of stereoisomers with the chemical formula C₄₃H₆₀N₂O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

796.41462536 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₃H₆₀N₂O₁₂

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based on heuristic

inferred from SMILES

canonical SMILES

CCN(CC)Cc1c2c(O)c3c(OC)c(C)c4c(c3c1O)C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(C)C(=O)N2)O4

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

CCN(CC)Cc1c2c(O)c3c(OC)c(C)c4c(c3c1O)C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(C)C(=O)N2)O4

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C43H60N2O12/c1-13-45(14-2)20-28-33-37(50)31-30(36(28)49)32-40(26(8)39(31)54-12)57-43(10,41(32)51)55-19-18-29(53-11)23(5)38(56-27(9)46)25(7)35(48)24(6)34(47)21(3)16-15-17-22(4)42(52)44-33/h15-19,21,23-25,29,34-35,38,47-50H,13-14,20H2,1-12H3,(H,44,52)/b16-15+,19-18+,22-17?

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InChIKey

ODXGZCSUYZATOM-BLZWEPERSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID10664531

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NSC number

145666

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(Q82650301)

(14E,24E)-8-[(Diethylamino)methyl]-6,9,17,19-tetrahydroxy-5,23-dimethoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate

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