Chem
J-GLOBAL ID：200907058609471792   Nikkaji number：J764.451E

Diacetic acid [(1R,4aβ)-5β-[(2,3,3aα,6aα-tetrahydrofuro[2,3-b]furan)-2α-yl]-5,6α-dimethyl-4,4a,5,6,7,8-hexahydro-3H-3α,8aα-(epoxymethano)spiro[naphthalene-1(2H),2′-oxirane]]-8α,9-diyl ester

二酢酸[(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-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： C24H32O8
Molecular formula furigana： C24-H32-O8
Molecular weight： 448.512
InChI： InChI=1S/C24H32O8/c1-12-7-19(29-13(2)25)24-17(22(12,4)18-8-15-5-6-27-20(15)32-18)9-16(10-23(24)11-28-23)31-21(24)30-14(3)26/h5-6,12,15-21H,7-11H2,1-4H3/t12-,15-,16-,17-,18+,19+,20+,21?,22+,23+,24+/m1/s1
InChI key： CEUOLEQPGHORRY-DEXDMARSSA-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=CO[C@H]2O1)C[C@@]13CO1
Systematic name  (3)：
  • 二酢酸[(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-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,6aS)-2H,3H,3aH,6aH-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,6aS)-2H,3H,3aH,6aH-furo[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-[(2,3,3aα,6aα-tetrahydrofuro[2,3-b]furan)-2α-yl]-5,6α-dimethyl-4,4a,5,6,7,8-hexahydro-3H-3α,8aα-(epoxymethano)spiro[naphthalene-1(2H),2′-oxirane]]-8α,9-diyl ester
KEGG COMPOUND： C09121
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