Chem
J-GLOBAL ID：200907000843652522   Nikkaji number：J2.348.854J

Physagulin N

フィサグリンN
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： C32H42O9
Molecular formula furigana： C32-H42-O9
Molecular weight： 570.679
InChI： InChI=1S/C32H42O9/c1-15-10-24(40-28(36)16(15)2)17(3)22-12-27(39-19(5)34)32(37)23-13-26-31(41-26)14-20(38-18(4)33)11-25(35)30(31,7)21(23)8-9-29(22,32)6/h12,17,20-21,23-24,26-27,37H,8-11,13-14H2,1-7H3/t17-,20-,21-,23+,24+,26+,27-,29+,30-,31-,32-/m0/s1
InChI key： XCMQDGBSTGUYHP-QKCYQOMTSA-N
SMILES： C[C@H]([C@H]1CC(=C(C)C(=O)O1)C)C1=C[C@H](OC(=O)C)[C@@]2(O)[C@@H]3C[C@H]4O[C@]54C[C@H](CC(=O)[C@]5(C)[C@H]3CC[C@]12C)OC(=O)C
Systematic name  (3)：
  • (22R)-3β,15α-ジアセトキシ-5,6β-エポキシ-14,22-ジヒドロキシ-1-オキソ-5α-エルゴスタ-16,24-ジエン-26-酸δ-ラクトン
  • (1S,2R,5R,7R,9R,11R,12R,13S,16R)-5-(アセチルオキシ)-15-[(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]-12-ヒドロキシ-2,16-ジメチル-3-オキソ-8-オキサペンタシクロ[9.7.0.02,7.07,9.012,16]オクタデカ-14-エン-13-イル アセタート
  • (1S,2R,5R,7R,9R,11R,12R,13S,16R)-5-(acetyloxy)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-13-yl acetate
Other name (3)：
  • (22R)-3β,15α-Diacetoxy-5,6β-epoxy-14,22-dihydroxy-1-oxo-5α-ergosta-16,24-diene-26-oic acid δ-lactone
  • フィサグリンN
  • Physagulin N
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