Chem
J-GLOBAL ID：200907061175632190   Nikkaji number：J2.348.852C

Physagulin L

フィサグリンL
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： C30H42O10
Molecular formula furigana： C30-H42-O10
Molecular weight： 562.656
InChI： InChI=1S/C30H42O10/c1-15-11-21(40-25(35)18(15)14-31)16(2)29(37)13-24(39-17(3)32)30(38)20-12-23(34)28(36)9-6-7-22(33)27(28,5)19(20)8-10-26(29,30)4/h6-7,16,19-21,23-24,31,34,36-38H,8-14H2,1-5H3/t16-,19+,20-,21-,23-,24+,26-,27+,28+,29-,30-/m1/s1
InChI key： YFXBHSNQUQNGMW-AJULRSEFSA-N
SMILES： C[C@H]([C@H]1CC(=C(CO)C(=O)O1)C)[C@]1(O)C[C@H](OC(=O)C)[C@]2(O)[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (17R,22R)-15α-アセトキシ-5,6β,14β,17,22,27-ヘキサヒドロキシ-1-オキソ-5α-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (1R,3S,3aS,3bR,5R,5aR,9aR,9bS,11aR)-1,3a,5,5a-テトラヒドロキシ-1-[(1R)-1-[(2R)-5-(ヒドロキシメチル)-4-メチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]エチル]-9a,11a-ジメチル-9-オキソ-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-3-イル アセタート
  • (1R,3S,3aS,3bR,5R,5aR,9aR,9bS,11aR)-1,3a,5,5a-tetrahydroxy-1-[(1R)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-yl acetate
Other name (3)：
  • (17R,22R)-15α-Acetoxy-5,6β,14β,17,22,27-hexahydroxy-1-oxo-5α-ergosta-2,24-diene-26-oic acid δ-lactone
  • フィサグリンL
  • Physagulin L
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