Chem
J-GLOBAL ID：200907063388351677   Nikkaji number：J2.148.106H

Phlogacanathoside A

フロガカントシド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： C26H38O9
Molecular formula furigana： C26-H38-O9
Molecular weight： 494.581
InChI： InChI=1S/C26H38O9/c1-12-18-15(34-23(12)32)9-14-13(19(18)28)5-6-17-25(2,7-4-8-26(14,17)3)11-33-24-22(31)21(30)20(29)16(10-27)35-24/h15-17,19-22,24,27-31H,4-11H2,1-3H3/t15-,16-,17-,19+,20-,21+,22-,24-,25+,26+/m1/s1
InChI key： USHSVQJEZJGRFF-CPHRPWCNSA-N
SMILES： CC1=C2[C@@H](CC3=C(CC[C@@H]4[C@](C)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@@]34C)[C@@H]2O)OC1=O
Systematic name  (3)：
  • 1,2,3,4,4aα,5,6,10aβ,11,11b-デカヒドロ-4β-(β-D-グルコピラノシルオキシメチル)-7α-ヒドロキシ-4,8,11bβ-トリメチルフェナントロ[3,2-b]フラン-9(7H)-オン
  • (4R,4aS,7S,10aR,11bR)-7-ヒドロキシ-4,8,11b-トリメチル-4-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)-1H,2H,3H,4H,4aH,5H,6H,7H,9H,10aH,11H,11bH-フェナントロ[3,2-b]フラン-9-オン
  • (4R,4aS,7S,10aR,11bR)-7-hydroxy-4,8,11b-trimethyl-4-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,2H,3H,4H,4aH,5H,6H,7H,9H,10aH,11H,11bH-phenanthro[3,2-b]furan-9-one
Other name (3)：
  • 1,2,3,4,4aα,5,6,10aβ,11,11b-Decahydro-4β-(β-D-glucopyranosyloxymethyl)-7α-hydroxy-4,8,11bβ-trimethylphenanthro[3,2-b]furan-9(7H)-one
  • フロガカントシドA
  • Phlogacanathoside A
CAS registry number： 830347-18-7
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