Chem
J-GLOBAL ID：200907006551000948   Nikkaji number：J2.108.890K

Jiadifenin

ジアジフェニン
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： C16H18O8
Molecular formula furigana： C16-H18-O8
Molecular weight： 338.312
InChI： InChI=1S/C16H18O8/c1-7-8(17)4-9-13(2)6-23-11(18)15(13,20)10-5-14(7,9)16(21,24-10)12(19)22-3/h4,7,10,20-21H,5-6H2,1-3H3/t7-,10+,13-,14+,15+,16?/m0/s1
InChI key： RVLZTXZDKYFFMN-LRCVSGIZSA-N
SMILES： COC(=O)C1(O)O[C@@H]2C[C@@]31[C@@H](C)C(=O)C=C3[C@]1(C)COC(=O)[C@]21O
Systematic name  (3)：
  • (3aR)-3aβ,9-ジヒドロキシ-3,7-ジオキソ-6β,8bβ-ジメチル-4α,5aα-(エポキシメタノ)-3,3a,4,5,5a,6,7,8b-オクタヒドロ-1H-インデノ[4,5-c]フラン-9-カルボン酸メチル
  • メチル (1R,2R,6R,10R,11R)-10,13-ジヒドロキシ-2,6-ジメチル-3,9-ジオキソ-8,12-ジオキサテトラシクロ[9.2.1.01,5.06,10]テトラデカ-4-エン-13-カルボキシラート
  • methyl (1R,2R,6R,10R,11R)-10,13-dihydroxy-2,6-dimethyl-3,9-dioxo-8,12-dioxatetracyclo[9.2.1.01,5.06,10]tetradec-4-ene-13-carboxylate
Other name (5)：
  • (3aR)-3aβ,9-Dihydroxy-3,7-dioxo-6β,8bβ-dimethyl-4α,5aα-(epoxymethano)-3,3a,4,5,5a,6,7,8b-octahydro-1H-indeno[4,5-c]furan-9-carboxylic acid methyl ester
  • ジアジフェニン
  • Jiadifenin
  • (-)-ジアジフェニン
  • (-)-Jiadifenin
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