Chem
J-GLOBAL ID:200907001156134992   Nikkaji number:J13.827D

Withanolide Q

ウィタノリドQ
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/c1-15-19(14-29)25(32)34-24(23(15)31)16(2)28(33)13-11-20-18-9-8-17-6-5-7-22(30)27(17,4)21(18)10-12-26(20,28)3/h5,7-8,16,18,20-21,23-24,29,31,33H,6,9-14H2,1-4H3/t16-,18+,20+,21+,23+,24+,26+,27+,28+/m1/s1
InChI key: RCYHJRHAKWAKRC-UIRUAFKDSA-N
SMILES: C[C@H]([C@@H]1OC(=O)C(=C(C)[C@@H]1O)CO)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • (22S,23S)-17,22,23,27-テトラヒドロキシ-1-オキソエルゴスタ-2,5,24-トリエン-26-酸δ-ラクトン
  • (5S,6S)-6-[(1R)-1-[(1S,3aS,3bS,9aR,9bS,11aS)-1-ヒドロキシ-9a,11a-ジメチル-9-オキソ-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]エチル]-5-ヒドロキシ-3-(ヒドロキシメチル)-4-メチル-5,6-ジヒドロ-2H-ピラン-2-オン
  • (5S,6S)-6-[(1R)-1-[(1S,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-5-hydroxy-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
Other name (3):
  • ウィタノリドQ
  • Withanolide Q
  • (22S,23S)-17,22,23,27-Tetrahydroxy-1-oxoergosta-2,5,24-trien-26-oic acid δ-lactone
CAS registry number: 58324-08-6
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