Chem
J-GLOBAL ID：200907084520860010   Nikkaji number：J15.746E

α-Chaconine

α-カコニン
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： C45H73NO14
Molecular formula furigana： C45-H73-N-O14
Molecular weight： 852.072
InChI： InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1
InChI key： TYNQWWGVEGFKRU-AJDPQWBVSA-N
SMILES： C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • [ソラニダ-5-エン-3β-イル]2-O-(6-デオキシ-α-L-マンノピラノシル)-4-O-(6-デオキシ-α-L-マンノピラノシル)-β-D-グルコピラノシド
  • ソラニダ-5-エン-3β-イル2-O,4-O-ジ(6-デオキシ-α-L-マンノピラノシル)-β-D-グルコピラノシド
  • (2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-4-ヒドロキシ-2-(ヒドロキシメチル)-6-{[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-テトラメチル-22-アザヘキサシクロ[12.10.0.02,11.05,10.015,23.017,22]テトラコサ-4-エン-7-イル]オキシ}-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-3-イル]オキシ}-6-メチルオキサン-3,4,5-トリオール
  • (2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-{[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy}-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
Other name (7)：
  • α-カコニン
  • α-Chaconine
  • [Solanid-5-en-3β-yl]2-O-(6-deoxy-α-L-mannopyranosyl)-4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
  • Solanida-5-ene-3β-yl 2-O,4-O-di(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
  • カコニン
Show all
CAS registry number： 20562-03-2
KEGG COMPOUND： C10796
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM