Chem
J-GLOBAL ID：200907067381329132   Nikkaji number：J873.537I

Chivosazole B

キボサゾールB
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： C48H69NO12
Molecular formula furigana： C48-H69-N-O12
Molecular weight： 852.075
InChI： InChI=1S/C48H69NO12/c1-30-20-14-10-13-17-25-42(54)61-44(34(5)39(52)27-33(4)50)31(2)21-15-11-12-16-23-38(51)28-40(53)35(6)47-49-37(29-58-47)22-18-19-24-41(32(3)26-30)60-48-46(57-9)45(56-8)43(55)36(7)59-48/h10-26,29,31-36,38-41,43-46,48,50-53,55H,27-28H2,1-9H3/b12-11-,13-10-,20-14-,21-15-,22-18-,23-16-,24-19-,25-17-,30-26-/t31?,32?,33?,34?,35?,36-,38?,39?,40?,41?,43-,44?,45+,46-,48+/m1/s1
InChI key： FWDYAUGDLMQNBQ-WHUZESFQSA-N
SMILES： CO[C@H]1[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)O[C@H](C)[C@@H](O)[C@@H]1OC
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-[(2-O,3-O-ジメチル-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)-13-(3,5-ジヒドロキシヘキサン-2-イル)-3,5-ジヒドロキシ-25-{[(2R,3R,4S,5R,6R)-5-ヒドロキシ-3,4-ジメトキシ-6-メチルオキサン-2-イル]オキシ}-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)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-{[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-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B
  • Chivosazole B
  • (7E,9E,11Z,17Z,19E,21Z,23E,27Z,29E)-3,13,23,25-Tetramethyl-4,6-dihydroxy-14-(1-methyl-2,4-dihydroxypentyl)-26-[(2-O,3-O-dimethyl-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： C15729
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