Chem
J-GLOBAL ID：200907092939729056   Nikkaji number：J873.540I

Chivosazole E

キボサゾールE
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C46H65NO12
Molecular formula furigana： C46-H65-N-O12
Molecular weight： 824.021
InChI： InChI=1S/C46H65NO12/c1-28-18-12-8-11-15-23-40(52)59-44(32(5)37(50)25-31(4)48)29(2)19-13-9-10-14-21-36(49)26-38(51)33(6)45-47-35(27-56-45)20-16-17-22-39(30(3)24-28)58-46-43(55)42(54)41(53)34(7)57-46/h8-24,27,29-34,36-39,41-44,46,48-51,53-55H,25-26H2,1-7H3/b10-9-,11-8-,18-12-,19-13-,20-16-,21-14-,22-17-,23-15-,28-24-/t29?,30?,31?,32?,33?,34-,36?,37?,38?,39?,41-,42+,43-,44?,46+/m1/s1
InChI key： UMUMBLZPRQHELQ-GXZSOJFESA-N
SMILES： CC(O)CC(O)C(C)C1OC(=O)/C=C\C=C/C=C\C(=C/C(C)C(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)/C=C\C=C/c2coc(n2)C(C)C(O)CC(O)/C=C\C=C/C=C\C1C)\C
Systematic name  (3)：
  • (7E,9E,11Z,17Z,19E,21Z,23E,27Z,29E)-3,13,23,25-テトラメチル-4,6-ジヒドロキシ-14-(1-メチル-2,4-ジヒドロキシペンチル)-26-[(6-デオキシ-β-D-グルコピラノシル)オキシ]-31,2-エピニトリロ-1,15-ジオキサ-7,9,11,17,19,21,23,27,29,31-シクロドトリアコンタデカエン-16-オン
  • (6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-ジヒドロキシヘキサン-2-イル)-3,5-ジヒドロキシ-2,12,22,24-テトラメチル-25-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-14,32-ジオキサ-33-アザビシクロ[28.2.1]トリトリアコンタ-1(33),6,8,10,16,18,20,22,26,28,30-ウンデカエン-15-オン
  • (6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one
Other name (3)：
  • キボサゾールE
  • Chivosazole E
  • (7E,9E,11Z,17Z,19E,21Z,23E,27Z,29E)-3,13,23,25-Tetramethyl-4,6-dihydroxy-14-(1-methyl-2,4-dihydroxypentyl)-26-[(6-deoxy-β-D-glucopyranosyl)oxy]-31,2-epinitrilo-1,15-dioxa-7,9,11,17,19,21,23,27,29,31-cyclodotriacontadecen-16-one
KEGG COMPOUND： C15732
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