Chem
J-GLOBAL ID：200907094405163351   Nikkaji number：J1.989.065A

Physagulin H

フィサグリンH
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： C30H38O8
Molecular formula furigana： C30-H38-O8
Molecular weight： 526.626
InChI： InChI=1S/C30H38O8/c1-14-12-20(36-25(33)15(14)2)16(3)30-24(38-30)23(35-17(4)31)29(34)19-13-22-28(37-22)10-7-8-21(32)27(28,6)18(19)9-11-26(29,30)5/h7-8,16,18-20,22-24,34H,9-13H2,1-6H3/t16-,18+,19-,20-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
InChI key： OZZNUJSEIHDCFJ-UXNBTRKISA-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@@]54CC=CC(=O)[C@]5(C)[C@H]3CC[C@]21C
Systematic name  (4)：
  • (17R,22R)-15α-アセトキシ-5,6β:16β,17-ジエポキシ-14β,22-ジヒドロキシ-1-オキソ-5β-エルゴスタ-2,24-ジエン-26-酸26,22-ラクトン
  • (17R,20R,22R)-1-オキソ-5,6β:16β,17-ジエポキシ-14β,22-ジヒドロキシ-15α-アセトキシ-5β-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (1S,2R,7S,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]-12-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,7S,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-12-hydroxy-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 (4)：
  • (17R,22R)-15α-Acetoxy-5,6β:16β,17-diepoxy-14β,22-dihydroxy-1-oxo-5β-ergosta-2,24-diene-26-oic acid 26,22-lactone
  • (17R,20R,22R)-1-Oxo-5,6β:16β,17-diepoxy-14β,22-dihydroxy-15α-acetoxy-5β-ergosta-2,24-diene-26-oic acid δ-lactone
  • フィサグリンH
  • Physagulin H
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