Chem
J-GLOBAL ID：200907040440710400   Nikkaji number：J873.539E

Chivosazole D

キボサゾールD
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： C47H67NO12
Molecular formula furigana： C47-H67-N-O12
Molecular weight： 838.048
InChI： InChI=1S/C47H67NO12/c1-29-19-13-9-12-16-24-41(53)60-44(33(5)38(51)26-32(4)49)30(2)20-14-10-11-15-22-37(50)27-39(52)34(6)46-48-36(28-57-46)21-17-18-23-40(31(3)25-29)59-47-43(55)45(56-8)42(54)35(7)58-47/h9-25,28,30-35,37-40,42-45,47,49-52,54-55H,26-27H2,1-8H3/b11-10-,12-9-,19-13-,20-14-,21-17-,22-15-,23-18-,24-16-,29-25-/t30?,31?,32?,33?,34?,35-,37?,38?,39?,40?,42-,43-,44?,45+,47+/m1/s1
InChI key： HWGRMPUVMIHVLL-IDIBIGSTSA-N
SMILES： CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](OC2/C=C\C=C/c3coc(n3)C(C)C(O)CC(O)/C=C\C=C/C=C\C(C)C(OC(=O)/C=C\C=C/C=C\C(=C/C2C)\C)C(C)C(O)CC(C)O)[C@@H]1O
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-[(3-O-メチル-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)-25-{[(2R,3R,4S,5R,6R)-3,5-ジヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-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-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)-25-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-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D
  • Chivosazole D
  • (7E,9E,11Z,17Z,19E,21Z,23E,27Z,29E)-3,13,23,25-Tetramethyl-4,6-dihydroxy-14-(1-methyl-2,4-dihydroxypentyl)-26-[(3-O-methyl-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： C15731
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM