Chem
J-GLOBAL ID：200907062183916101   Nikkaji number：J850.124F

Lanceotoxin B

ランセオトキシン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： C32H44O11
Molecular formula furigana： C32-H44-O11
Molecular weight： 604.693
InChI： InChI=1S/C32H44O11/c1-17-25(36)26(37)27(38)28(41-17)42-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(35)40-15-19)9-13-32(29,39)23(22)8-12-31(30,14-20)43-18(2)34/h4-5,15-17,20-23,25-28,36-39H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,28-,29+,30-,31-,32-/m0/s1
InChI key： IKNIMVNUBXHADS-YGGZPGJKSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@@]3(C2)OC(=O)C)c2ccc(=O)oc2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 5-アセトキシ-3β-(6-デオキシ-α-L-マンノピラノシルオキシ)-14-ヒドロキシ-19-オキソ-5β-ブファ-20,22-ジエノリド
  • (1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a-ホルミル-3a-ヒドロキシ-11a-メチル-1-(2-オキソ-2H-ピラン-5-イル)-7-{[(2R,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}-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-5a-イル アセタート
  • (1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a-formyl-3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-7-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-5a-yl acetate
Other name (3)：
  • ランセオトキシンB
  • Lanceotoxin B
  • 5-Acetoxy-3β-(6-deoxy-α-L-mannopyranosyloxy)-14-hydroxy-19-oxo-5β-bufa-20,22-dienolide
CAS registry number： 93802-98-3
KEGG COMPOUND： C08873
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