Chem
J-GLOBAL ID：200907005507060287   Nikkaji number：J764.458B

Diacetic acid [(1R,4aβ)-5β-[[(3aα,6aα)-5β-hydroxyhexahydrofuro[2,3-b]furan]-2α-yl]-5,6α-dimethylhexahydro-3H-3α,8aα-(epoxymethano)spiro[naphthalene-1(2H),2′-oxirane]]-8α,9-diyl ester

二酢酸[(1R,4aβ)-5β-[[(3aα,6aα)-5β-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-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,9-ジイル
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： C24H34O9
Molecular formula furigana： C24-H34-O9
Molecular weight： 466.527
InChI： InChI=1S/C24H34O9/c1-11-5-18(29-12(2)25)24-16(22(11,4)17-6-14-7-19(27)33-20(14)32-17)8-15(9-23(24)10-28-23)31-21(24)30-13(3)26/h11,14-21,27H,5-10H2,1-4H3/t11-,14+,15-,16-,17+,18+,19+,20-,21?,22+,23+,24+/m1/s1
InChI key： XTNMBCPKMLHRJN-LHOIPSDMSA-N
SMILES： C[C@@H]1C[C@H](OC(=O)C)[C@]23C(OC(=O)C)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)：
  • 二酢酸[(1R,4aβ)-5β-[[(3aα,6aα)-5β-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-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,9-ジイル
  • (1'R,2R,2'S,4'R,5'S,6'R,8'R)-5'-[(2S,3aS,5S,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'-(アセチルオキシ)-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,5S,6aR)-5-hydroxy-hexahydrofuro[2,3-b]furan-2-yl]-11'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.01,6]dodecan]-2'-yl acetate
Other name (1)：
  • Diacetic acid [(1R,4aβ)-5β-[[(3aα,6aα)-5β-hydroxyhexahydrofuro[2,3-b]furan]-2α-yl]-5,6α-dimethylhexahydro-3H-3α,8aα-(epoxymethano)spiro[naphthalene-1(2H),2′-oxirane]]-8α,9-diyl ester
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