Chem
J-GLOBAL ID：200907075570742418   Nikkaji number：J2.767.254J

Lanceotoxin A

ランセオトキシンA
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： C32H44O12
Molecular formula furigana： C32-H44-O12
Molecular weight： 620.692
InChI： InChI=1S/C32H44O12/c1-17(34)25(37)26(38)27(39)28(40)43-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(36)42-15-19)9-13-32(29,41)23(22)8-12-31(30,14-20)44-18(2)35/h4-5,15-17,20-23,25-27,34,37-39,41H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,29+,30-,31-,32-/m0/s1
InChI key： IDZGCABQJKWSHL-GSMIIGJLSA-N
SMILES： C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@@]2(C1)OC(=O)C)c1ccc(=O)oc1
Systematic name  (3)：
  • 5-アセトキシ-3β-[[(2R,3R,4S,5S)-2,3,4,5-テトラヒドロキシヘキサノイル]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)-5a-(アセチルオキシ)-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)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル (2R,3R,4S,5S)-2,3,4,5-テトラヒドロキシヘキサノアート
  • (1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-5a-(acetyloxy)-9a-formyl-3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoate
Other name (3)：
  • 5-Acetoxy-3β-[[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoyl]oxy]-14-hydroxy-19-oxo-5β-bufa-20,22-dienolide
  • Lanceotoxin A
  • ランセオトキシンA
CAS registry number： 93771-82-5
KEGG COMPOUND： C08872
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