Chem
J-GLOBAL ID：200907026236393908   Nikkaji number：J612.887D

Cayaponoside C2

カヤポノシドC2
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： C29H40O10
Molecular formula furigana： C29-H40-O10
Molecular weight： 548.629
InChI： InChI=1S/C29H40O10/c1-12-14-6-7-19-27(3)9-16(32)21(13(2)31)28(27,4)10-20(33)29(19,5)15(14)8-17(22(12)34)38-26-25(37)24(36)23(35)18(11-30)39-26/h8,16,18-19,21,23-26,30,32,34-37H,6-7,9-11H2,1-5H3/t16-,18-,19+,21+,23-,24+,25-,26-,27+,28-,29+/m1/s1
InChI key： FKNMUGKCXFULAT-PKRLLTRGSA-N
SMILES： CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CCc4c(C)c(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4[C@]3(C)C(=O)C[C@]12C
Systematic name  (3)：
  • 2-(β-D-グルコピラノシルオキシ)-3,16α-ジヒドロキシ-4,9β,14-トリメチル-19-ノルプレグナ-1,3,5(10)-トリエン-11,20-ジオン
  • (1R,2R,3aS,3bS,9bR,11aR)-1-アセチル-2,7-ジヒドロキシ-3a,6,9b,11a-テトラメチル-8-{[(2S,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}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-10-オン
  • (1R,2R,3aS,3bS,9bR,11aR)-1-acetyl-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
Other name (3)：
  • カヤポノシドC2
  • Cayaponoside C2
  • 2-(β-D-Glucopyranosyloxy)-3,16α-dihydroxy-4,9β,14-trimethyl-19-norpregna-1,3,5(10)-triene-11,20-dione
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