(Q82651135)

English

(8Z,14E,24E)-8-[(2-Cyclohexylhydrazinyl)methylidene]-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-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 C₄₄H₅₉N₃O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

821.4098743280001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₄H₅₉N₃O₁₂

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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\NNC2CCCCC2)C(=C4O)NC(=O)C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C

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based on heuristic

inferred from InChI

isomeric SMILES

COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C\NNC2CCCCC2)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/C44H59N3O12/c1-21-14-13-15-22(2)43(55)46-34-29(20-45-47-28-16-11-10-12-17-28)38(52)31-32(39(34)53)37(51)26(6)41-33(31)42(54)44(8,59-41)57-19-18-30(56-9)23(3)40(58-27(7)48)25(5)36(50)24(4)35(21)49/h13-15,18-21,23-25,28,30,35-36,40,45,47,49-51,53H,10-12,16-17H2,1-9H3,(H,46,55)/b14-13+,19-18+,22-15?,29-20-

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InChIKey

YULMDYYBHINUPP-VHBDJYRZSA-N

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DSSTOX compound identifier

DTXCID20665079

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NSC number

143477

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(Q82651135)

(8Z,14E,24E)-8-[(2-Cyclohexylhydrazinyl)methylidene]-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-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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