Chem
J-GLOBAL ID：200907075890113273   Nikkaji number：J764.452C

19-O-Deacetyljodrellin A

19-O-デアセチルジョドレリンA
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： C22H30O7
Molecular formula furigana： C22-H30-O7
Molecular weight： 406.475
InChI： InChI=1S/C22H30O7/c1-11-6-17(27-12(2)23)22-15(8-14(28-19(22)24)9-21(22)10-26-21)20(11,3)16-7-13-4-5-25-18(13)29-16/h4-5,11,13-19,24H,6-10H2,1-3H3/t11-,13-,14-,15-,16+,17+,18+,19?,20+,21+,22+/m1/s1
InChI key： DQDNSXZRRDXRPS-TXQXLZPDSA-N
SMILES： C[C@@H]1C[C@H](OC(=O)C)[C@]23C(O)O[C@H](C[C@@H]2[C@@]1(C)[C@@H]1C[C@H]2C=CO[C@H]2O1)C[C@@]13CO1
Systematic name  (3)：
  • 酢酸[(1R,4aβ)-5β-[(2,3,3aα,6aα-テトラヒドロフロ[2,3-b]フラン)-2α-イル]-5,6α-ジメチル-9-ヒドロキシ-4,4a,5,6,7,8-ヘキサヒドロ-3H-3α,8aα-(エポキシメタノ)スピロ[ナフタレン-1(2H),2′-オキシラン]]-8α-イル
  • (1'R,2R,2'S,4'R,5'S,6'R,8'R)-5'-[(2S,3aS,6aS)-2H,3H,3aH,6aH-フロ[2,3-b]フラン-2-イル]-11'-ヒドロキシ-4',5'-ジメチル-12'-オキサスピロ[オキシラン-2,10'-トリシクロ[6.2.2.01,6]ドデカン]-2'-イル アセタート
  • (1'R,2R,2'S,4'R,5'S,6'R,8'R)-5'-[(2S,3aS,6aS)-2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl]-11'-hydroxy-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.01,6]dodecan]-2'-yl acetate
Other name (3)：
  • 19-O-デアセチルジョドレリンA
  • 19-O-Deacetyljodrellin A
  • Acetic acid [(1R,4aβ)-5β-[(2,3,3aα,6aα-tetrahydrofuro[2,3-b]furan)-2α-yl]-5,6α-dimethyl-9-hydroxy-4,4a,5,6,7,8-hexahydro-3H-3α,8aα-(epoxymethano)spiro[naphthalene-1(2H),2′-oxirane]]-8α-yl ester
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