Chem
J-GLOBAL ID：200907036944078147   Nikkaji number：J996.151H

4β-Hydroxywithanolide E

4β-ヒドロキシウィタノリドE
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： C28H38O8
Molecular formula furigana： C28-H38-O8
Molecular weight： 502.604
InChI： InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3/t16-,17+,19-,20+,21+,23-,24-,25-,26+,27-,28+/m0/s1
InChI key： UPBUGICUKQIKTJ-KABTZXSUSA-N
SMILES： CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@@H]3C[C@H]4O[C@@]54[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C
Systematic name  (5)：
  • (17S,22R)-5,6β-エポキシ-4β,14,17,20,22-ペンタヒドロキシ-1-オキソ-5β-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (17S,20S,22R)-5,6β-エポキシ-4β,14,17,20,22-ペンタヒドロキシ-1-オキソ-5β-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (4S,5R,6R,17S,20S,22R)-5,6-エポキシ-4,14,17,20,22-ペンタヒドロキシ-1-オキソエルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (1S,2R,6S,7R,9R,11R,12R,15S,16S)-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]-1-ヒドロキシエチル]-6,12,15-トリヒドロキシ-2,16-ジメチル-8-オキサペンタシクロ[9.7.0.02,7.07,9.012,16]オクタデカ-4-エン-3-オン
  • (1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Other name (5)：
  • (17S,22R)-5,6β-Epoxy-4β,14,17,20,22-pentahydroxy-1-oxo-5β-ergosta-2,24-diene-26-oic acid δ-lactone
  • 4β-ヒドロキシウィタノリドE
  • 4β-Hydroxywithanolide E
  • (17S,20S,22R)-5,6β-Epoxy-4β,14,17,20,22-pentahydroxy-1-oxo-5β-ergosta-2,24-diene-26-oic acid δ-lactone
  • (4S,5R,6R,17S,20S,22R)-5,6-Epoxy-4,14,17,20,22-pentahydroxy-1-oxoergosta-2,24-diene-26-oic acid δ-lactone
Thsaurus map：
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