Chem
J-GLOBAL ID：200907009267164581   Nikkaji number：J764.459K

Acetic acid [(1R,4aβ)-5β-[[(3aα,6aα)-5α-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[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

(1'R,2R,2'S,4'R,5'S,6'R,8'R)-5'-[(2S,3aS,5R,6aR)-5-ヒドロキシ-ヘキサヒドロフロ[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
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： C22H32O8
Molecular formula furigana： C22-H32-O8
Molecular weight： 424.490
InChI： InChI=1S/C22H32O8/c1-10-4-16(27-11(2)23)22-14(7-13(28-19(22)25)8-21(22)9-26-21)20(10,3)15-5-12-6-17(24)30-18(12)29-15/h10,12-19,24-25H,4-9H2,1-3H3/t10-,12+,13-,14-,15+,16+,17-,18-,19?,20+,21+,22+/m1/s1
InChI key： VNNHJRDFAKPJHC-QSLPWYEUSA-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[C@H](O)O[C@H]2O1)C[C@@]13CO1
Systematic name  (3)：
  • 酢酸[(1R,4aβ)-5β-[[(3aα,6aα)-5α-ヒドロキシ-2,3,3a,4,5,6a-ヘキサヒドロフロ[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,5R,6aR)-5-ヒドロキシ-ヘキサヒドロフロ[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,5R,6aR)-5-hydroxy-hexahydrofuro[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 (1)：
  • Acetic acid [(1R,4aβ)-5β-[[(3aα,6aα)-5α-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[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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