Chem
J-GLOBAL ID：200907040298899304   Nikkaji number：J386.669F

Physagulin C

フィサグリンC
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： C30H38O9
Molecular formula furigana： C30-H38-O9
Molecular weight： 542.625
InChI： InChI=1S/C30H38O9/c1-13-11-19(37-25(34)14(13)2)15(3)29-24(39-29)23(36-16(4)31)28(35)18-12-22-30(38-22)21(33)8-7-20(32)27(30,6)17(18)9-10-26(28,29)5/h7-8,15,17-19,21-24,33,35H,9-12H2,1-6H3/t15-,17+,18-,19-,21+,22-,23+,24+,26+,27+,28-,29+,30-/m1/s1
InChI key： VVQRJFUYBNCTQX-STRQQOONSA-N
SMILES： C[C@H]([C@H]1CC(=C(C)C(=O)O1)C)[C@]12O[C@H]1[C@H](OC(=O)C)[C@]1(O)[C@@H]3C[C@H]4O[C@@]54[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]21C
Systematic name  (3)：
  • (17R,22R)-15α-アセチルオキシ-5,6β:16β,17-ジエポキシ-4β,14β,22-トリヒドロキシ-1-オキソ-5β-エルゴスタ-2,24-ジエン-26-酸26,22-ラクトン
  • (1S,2R,6S,7R,9R,11R,12S,13S,14S,16R,17S)-16-[(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]-6,12-ジヒドロキシ-2,17-ジメチル-3-オキソ-8,15-ジオキサヘキサシクロ[9.8.0.02,7.07,9.012,17.014,16]ノナデカ-4-エン-13-イル アセタート
  • (1S,2R,6S,7R,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-6,12-dihydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-13-yl acetate
Other name (3)：
  • フィサグリンC
  • Physagulin C
  • (17R,22R)-15α-Acetyloxy-5,6β:16β,17-diepoxy-4β,14β,22-trihydroxy-1-oxo-5β-ergosta-2,24-dien-26-oic acid 26,22-lactone
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