Chem
J-GLOBAL ID：200907063065657955   Nikkaji number：J171.205E

Podolide

ポドリド
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： C19H22O5
Molecular formula furigana： C19-H22-O5
Molecular weight： 330.380
InChI： InChI=1S/C19H22O5/c1-9(2)14-19-10(8-11(20)22-14)17(3)6-5-7-18(4)13(17)12(15(19)24-19)23-16(18)21/h5,7-9,12-15H,6H2,1-4H3/t12-,13+,14+,15+,17+,18-,19+/m0/s1
InChI key： NGMZHPQMBVXJMC-DXNUVPBBSA-N
SMILES： CC(C)[C@H]1OC(=O)C=C2[C@]31O[C@@H]3[C@H]1OC(=O)[C@@]3(C)C=CC[C@@]2(C)[C@@H]13
Systematic name  (3)：
  • (1aR,10aβ,10bα)-2β-イソプロピル-5bα,8aβ-ジメチル-8bβ,9,10a,10b-テトラヒドロ-4H,6H-フロ[2′,3′,4′:4,5]オキシレノ[2,3]ナフト[2,1-c]ピラン-4,9-ジオン
  • (1S,2R,4R,5R,10S,14S,17R)-10,14-ジメチル-5-(プロパン-2-イル)-3,6,16-トリオキサペンタシクロ[8.6.1.02,4.04,9.014,17]ヘプタデカ-8,12-ジエン-7,15-ジオン
  • (1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-(propan-2-yl)-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione
Other name (5)：
  • 1,2-デエポキシ-2,3-ジデヒドロ-3,15,16-トリデオキシポドラクトンB
  • ポドリド
  • 1,2-Deepoxy-2,3-didehydro-3,15,16-trideoxypodolactone B
  • Podolide
  • (1aR,10aβ,10bα)-2β-Isopropyl-5bα,8aβ-dimethyl-8bβ,9,10a,10b-tetrahydro-4H,6H-furo[2′,3′,4′:4,5]oxireno[2,3]naphtho[2,1-c]pyran-4,9-dione
CAS registry number： 55786-36-2
KEGG COMPOUND： C09173
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