Chem
J-GLOBAL ID：200907058891887076   Nikkaji number：J2.348.853A

Physagulin M

フィサグリンM
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： C30H40O9
Molecular formula furigana： C30-H40-O9
Molecular weight： 544.641
InChI： InChI=1S/C30H40O9/c1-15-11-22(39-26(35)18(15)14-31)16(2)20-13-25(38-17(3)32)30(37)21-12-24(34)29(36)9-6-7-23(33)28(29,5)19(21)8-10-27(20,30)4/h6-7,13,16,19,21-22,24-25,31,34,36-37H,8-12,14H2,1-5H3/t16-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1
InChI key： QQYMQRQHXZDRMP-YAPSIQIYSA-N
SMILES： C[C@H]([C@H]1CC(=C(CO)C(=O)O1)C)C1=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)：
  • (22R)-15α-アセトキシ-5,6β,14,22,27-ペンタヒドロキシ-1-オキソ-5α-エルゴスタ-2,16,24-トリエン-26-酸δ-ラクトン
  • (3S,3aR,3bR,5R,5aR,9aR,9bS,11aR)-3a,5,5a-トリヒドロキシ-1-[(1S)-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-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
  • (3S,3aR,3bR,5R,5aR,9aR,9bS,11aR)-3a,5,5a-trihydroxy-1-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-9a,11a-dimethyl-9-oxo-3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-yl acetate
Other name (3)：
  • (22R)-15α-Acetoxy-5,6β,14,22,27-pentahydroxy-1-oxo-5α-ergosta-2,16,24-triene-26-oic acid δ-lactone
  • フィサグリンM
  • Physagulin M
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