Chem
J-GLOBAL ID：200907055214546018   Nikkaji number：J19.199J

Withanolide E

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： C28H38O7
Molecular formula furigana： C28-H38-O7
Molecular weight： 486.605
InChI： InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1
InChI key： RUVPNJSJTWTANE-LFCBYZEKSA-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@@]54CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • (17S,22R)-5,6β-エポキシ-14,17,20,22-テトラヒドロキシ-1-オキソ-5β-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (5S,6R,17S,20S,22R)-1-オキソ-5,6-エポキシ-14,17,20,22-テトラヒドロキシエルゴスタ-2,24-ジエン-26-酸26,22-ラクトン
  • (1S,2R,7S,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]-12,15-ジヒドロキシ-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,7S,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Other name (4)：
  • ウィタノリドE
  • Withanolide E
  • (17S,22R)-5,6β-Epoxy-14,17,20,22-tetrahydroxy-1-oxo-5β-ergosta-2,24-dien-26-oic acid δ-lactone
  • (5S,6R,17S,20S,22R)-1-Oxo-5,6-epoxy-14,17,20,22-tetrahydroxyergosta-2,24-diene-26-oic acid 26,22-lactone
CAS registry number： 38254-15-8
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