Chem
J-GLOBAL ID：200907057146710486   Nikkaji number：J1.989.066J

Physagulin J

フィサグリンJ
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： C30H42O8
Molecular formula furigana： C30-H42-O8
Molecular weight： 530.658
InChI： InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,9-14H2,1-6H3/t17-,19-,20+,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1
InChI key： LPLXJRLTDNXTSA-LYDDYJSBSA-N
SMILES： C[C@@H]([C@H]1C[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)[C@H]1CC(=C(C)C(=O)O1)C
Systematic name  (5)：
  • (22R)-15α-アセトキシ-5,6β,14β,22-テトラヒドロキシ-1-オキソ-5α-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (17R,20S,22R)-1-オキソ-5α,6β,14β,22-テトラヒドロキシ-15α-アセトキシエルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (22R)-1-オキソ-5α,6β,14β,22-テトラヒドロキシ-15α-アセトキシエルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (1R,3S,3aS,3bR,5R,5aR,9aR,9bS,11aR)-1-[(1S)-1-[(2R)-4,5-ジメチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]エチル]-3a,5,5a-トリヒドロキシ-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-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-3a,5,5a-trihydroxy-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 (5)：
  • (22R)-15α-Acetoxy-5,6β,14β,22-tetrahydroxy-1-oxo-5α-ergosta-2,24-diene-26-oic acid δ-lactone
  • (17R,20S,22R)-1-Oxo-5α,6β,14β,22-tetrahydroxy-15α-acetoxyergosta-2,24-diene-26-oic acid δ-lactone
  • フィサグリンJ
  • Physagulin J
  • (22R)-1-Oxo-5α,6β,14β,22-tetrahydroxy-15α-acetoxyergosta-2,24-diene-26-oic acid δ-lactone
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