Chem
J-GLOBAL ID：200907002476361993   Nikkaji number：J1.989.067H

Physagulin K

フィサグリンK
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： C30H42O9
Molecular formula furigana： C30-H42-O9
Molecular weight： 546.657
InChI： InChI=1S/C30H42O9/c1-15-12-21(39-25(34)16(15)2)17(3)29(36)14-24(38-18(4)31)30(37)20-13-23(33)28(35)10-7-8-22(32)27(28,6)19(20)9-11-26(29,30)5/h7-8,17,19-21,23-24,33,35-37H,9-14H2,1-6H3/t17-,19+,20-,21-,23-,24+,26-,27+,28+,29-,30-/m1/s1
InChI key： URZHQDOZWJFQSH-SXLGBMPDSA-N
SMILES： C[C@H]([C@H]1CC(=C(C)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  (4)：
  • (17R,22R)-15α-アセトキシ-5,6β,14β,17,22-ペンタヒドロキシ-1-オキソ-5α-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (17R,20R,22R)-1-オキソ-5α,6β,14β,17,22-ペンタヒドロキシ-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-[(1R)-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]-1,3a,5,5a-テトラヒドロキシ-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-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-1,3a,5,5a-tetrahydroxy-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 (6)：
  • (17R,22R)-15α-Acetoxy-5,6β,14β,17,22-pentahydroxy-1-oxo-5α-ergosta-2,24-diene-26-oic acid δ-lactone
  • (17R,20R,22R)-1-Oxo-5α,6β,14β,17,22-pentahydroxy-15α-acetoxyergosta-2,24-diene-26-oic acid δ-lactone
  • フィサグリンK
  • Physagulin K
  • 14-epi-フィサグリンP
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