Chem
J-GLOBAL ID：200907096449663494   Nikkaji number：J501.090J

Physagulin D

フィサグリンD
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： C34H52O10
Molecular formula furigana： C34-H52-O10
Molecular weight： 620.780
InChI： InChI=1S/C34H52O10/c1-16-11-25(43-31(41)21(16)14-35)17(2)22-7-8-23-20-6-5-18-12-19(42-32-30(40)29(39)28(38)26(15-36)44-32)13-27(37)34(18,4)24(20)9-10-33(22,23)3/h5,17,19-20,22-30,32,35-40H,6-15H2,1-4H3/t17-,19+,20-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1
InChI key： KRHHFPJGGBLAAH-MYBCZMNMSA-N
SMILES： C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC(=C(CO)C(=O)O1)C
Systematic name  (5)：
  • (17R,22R)-3β-(β-D-グルコピラノシルオキシ)-1α,22,27-トリヒドロキシエルゴスタ-5,24-ジエン-26-酸δ-ラクトン
  • (20S,22R)-1α,22,27-トリヒドロキシ-3β-[(β-D-グルコピラノシル)オキシ]-5β-エルゴスタ-5,24-ジエン-26-酸δ-ラクトン
  • (22R)-1α,22,27-トリヒドロキシ-3β-(β-D-グルコピラノシルオキシ)エルゴスタ-5,24-ジエン-26-酸δ-ラクトン
  • (6R)-6-[(1S)-1-[(1R,3aS,3bS,7R,9S,9aR,9bS,11aS)-9-ヒドロキシ-9a,11a-ジメチル-7-{[(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}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]エチル]-3-(ヒドロキシメチル)-4-メチル-5,6-ジヒドロ-2H-ピラン-2-オン
  • (6R)-6-[(1S)-1-[(1R,3aS,3bS,7R,9S,9aR,9bS,11aS)-9-hydroxy-9a,11a-dimethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
Other name (5)：
  • フィサグリンD
  • Physagulin D
  • (20S,22R)-1α,22,27-Trihydroxy-3β-[(β-D-glucopyranosyl)oxy]-5β-ergosta-5,24-dien-26-oic acid δ-lactone
  • (17R,22R)-3β-(β-D-Glucopyranosyloxy)-1α,22,27-trihydroxyergosta-5,24-dien-26-oic acid δ-lactone
  • (22R)-1α,22,27-Trihydroxy-3β-(β-D-glucopyranosyloxy)ergosta-5,24-diene-26-oic acid δ-lactone
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