(Q105278509)

English

N-methyl-N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

N-methyl-N-[3,5,14-trimethoxy-13-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide

1 reference

based on heuristic

inferred from SMILES

mass

561.22101094 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₅NO₁₁

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canonical SMILES

O=C1C(OC)=CC2C=3C=4C(OC)=C(OC5OC(CO)C(O)C(O)C5O)C(OC)=CC4CCC(C3C12)N(C(=O)C)C

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isomeric SMILES

COC1=C[C@H]2C3=C([C@H]2C1=O)[C@@H](N(C)C(C)=O)CCc1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c13

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found in taxon

Colchicum autumnale

1 reference

stated in

Substanzen der herbstzeitlose und ihre derivate XXXIV. Isolierung weiterer substanzen aus den blüten der herbstzeitlose (Colchicum autumnale L.)

Identifiers

InChI

InChI=1S/C28H35NO11/c1-11(31)29(2)14-7-6-12-8-16(37-4)26(40-28-25(35)24(34)23(33)17(10-30)39-28)27(38-5)18(12)19-13-9-15(36-3)22(32)20(13)21(14)19/h8-9,13-14,17,20,23-25,28,30,33-35H,6-7,10H2,1-5H3/t13-,14-,17+,20-,23+,24-,25+,28-/m0/s1

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InChIKey

USTNADWJYOCTQA-VSOSOMBCSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105278509)

N-methyl-N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide

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