Chem
J-GLOBAL ID：200907095650094230   Nikkaji number：J19.203A

Withanolide D

ウィタノリドD
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： C28H38O6
Molecular formula furigana： C28-H38-O6
Molecular weight： 470.606
InChI： InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1
InChI key： SASUFNRGCZMRFD-JCUIILOWSA-N
SMILES： CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[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)：
  • (22R)-5,6β-エポキシ-4β,20,22-トリヒドロキシ-1-オキソ-5β-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (20R)-4β,20-ジヒドロキシ-5β,6β-エポキシ-20-[(R)-2,3-ジヒドロ-4,5-ジメチル-6-オキソ-6H-ピラン-2-イル]プレグナ-2-エン-1-オン
  • (20R,22R)-4β,20-ジヒドロキシ-5β,6β:22,26-ジエポキシエルゴスタ-2,24-ジエン-1,26-ジオン
  • (1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(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]-1-ヒドロキシエチル]-6-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,11S,12S,15S,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Other name (5)：
  • ウィタノリドD
  • Withanolide D
  • (22R)-5,6β-Epoxy-4β,20,22-trihydroxy-1-oxo-5β-ergosta-2,24-dien-26-oic acid δ-lactone
  • (20R)-4β,20-Dihydroxy-5β,6β-epoxy-20-[(R)-2,3-dihydro-4,5-dimethyl-6-oxo-6H-pyran-2-yl]pregna-2-ene-1-one
  • (20R,22R)-4β,20-Dihydroxy-5β,6β:22,26-diepoxyergosta-2,24-diene-1,26-dione
CAS registry number： 30655-48-2
KEGG COMPOUND： C08842
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