Chem
J-GLOBAL ID:200907026895551243   Nikkaji number:J2.082.984B

(2S,3S)-3′,3′′,4′,4′′,4aβ,5′,5′′,6′,6′′,7,8,8aα-Dodecahydro-5β-[(Z)-3-oxo-1-propenyl]-7-hydroxydispiro[5H-pyrano[3,4-b]-1,4-dioxin-2,2′:3,2′′-bis[2H]pyran]-7β-carboxylic acid methyl ester

メチル (2S,3'S,4'aS,5'R,7'R,8'aR)-7'-ヒドロキシ-5'-[(1Z)-3-オキソプロパ-1-エン-1-イル]-テトラヒドロ-4'aH-ジスピロ[オキサン-2,2'-ピラノ[3,4-b][1,4]ジオキシン-3',2''-オキサン]-7'-カルボキシラート
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: C20H28O9
Molecular formula furigana: C20-H28-O9
Molecular weight: 412.435
InChI: InChI=1S/C20H28O9/c1-24-17(22)18(23)13-15-16(14(27-18)7-6-10-21)29-20(9-3-5-12-26-20)19(28-15)8-2-4-11-25-19/h6-7,10,14-16,23H,2-5,8-9,11-13H2,1H3/b7-6-/t14-,15-,16-,18-,19+,20+/m1/s1
InChI key: PDXZDADIDNMIAW-LVAOOXCMSA-N
SMILES: COC(=O)[C@@]1(O)C[C@H]2O[C@@]3(CCCCO3)[C@]3(CCCCO3)O[C@@H]2[C@H](O1)/C=C\C=O
Systematic name  (3):
  • (2S,3S)-3′,3′′,4′,4′′,4aβ,5′,5′′,6′,6′′,7,8,8aα-ドデカヒドロ-5β-[(Z)-3-オキソ-1-プロペニル]-7-ヒドロキシジスピロ[5H-ピラノ[3,4-b]-1,4-ジオキシン-2,2′:3,2′′-ビス[2H]ピラン]-7β-カルボン酸メチル
  • メチル (2S,3'S,4'aS,5'R,7'R,8'aR)-7'-ヒドロキシ-5'-[(1Z)-3-オキソプロパ-1-エン-1-イル]-テトラヒドロ-4'aH-ジスピロ[オキサン-2,2'-ピラノ[3,4-b][1,4]ジオキシン-3',2''-オキサン]-7'-カルボキシラート
  • methyl (2S,3'S,4'aS,5'R,7'R,8'aR)-7'-hydroxy-5'-[(1Z)-3-oxoprop-1-en-1-yl]-tetrahydro-4'aH-dispiro[oxane-2,2'-pyrano[3,4-b][1,4]dioxine-3',2''-oxane]-7'-carboxylate
Other name (1):
  • (2S,3S)-3′,3′′,4′,4′′,4aβ,5′,5′′,6′,6′′,7,8,8aα-Dodecahydro-5β-[(Z)-3-oxo-1-propenyl]-7-hydroxydispiro[5H-pyrano[3,4-b]-1,4-dioxin-2,2′:3,2′′-bis[2H]pyran]-7β-carboxylic acid methyl ester
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