Chem
J-GLOBAL ID:200907081030270088   Nikkaji number:J1.993.945F

(4R,αR)-α-Acetoxy-12β,12aβ-epoxy-4β-(3-furanyl)-1,2,4,4a,5,6,6aβ,7,8,9,10,11,12,12bβ-tetradecahydro-11-hydroxy-4aβ,7,9,9-tetramethyl-10α-[(E)-2-methyl-2-butenoyloxy]-2,14-dioxo-7β,11β-methano-12aH-cycloocta[f][2]benzopyran-8β-acetic acid methyl ester

(4R,αR)-α-アセトキシ-12β,12aβ-エポキシ-4β-(3-フラニル)-1,2,4,4a,5,6,6aβ,7,8,9,10,11,12,12bβ-テトラデカヒドロ-11-ヒドロキシ-4aβ,7,9,9-テトラメチル-10α-[(E)-2-メチル-2-ブテノイルオキシ]-2,14-ジオキソ-7β,11β-メタノ-12aH-シクロオクタ[f][2]ベンゾピラン-8β-酢酸メチル
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: C34H42O12
Molecular formula furigana: C34-H42-O12
Molecular weight: 642.698
InChI: InChI=1S/C34H42O12/c1-9-16(2)25(37)45-28-30(4,5)23(22(26(38)41-8)43-17(3)35)32(7)19-10-12-31(6)20(34(19)29(46-34)33(28,40)27(32)39)14-21(36)44-24(31)18-11-13-42-15-18/h9,11,13,15,19-20,22-24,28-29,40H,10,12,14H2,1-8H3/b16-9+/t19-,20-,22-,23+,24+,28+,29-,31-,32-,33+,34-/m1/s1
InChI key: CYIZQHWSHNNMLB-OIXDOQNGSA-N
SMILES: COC(=O)[C@H](OC(=O)C)[C@H]1C(C)(C)[C@H](OC(=O)/C(=C/C)/C)[C@]2(O)[C@H]3O[C@]43[C@H](CC[C@]3(C)[C@H]4CC(=O)O[C@H]3c3ccoc3)[C@@]1(C)C2=O
Systematic name  (3):
  • (4R,αR)-α-アセトキシ-12β,12aβ-エポキシ-4β-(3-フラニル)-1,2,4,4a,5,6,6aβ,7,8,9,10,11,12,12bβ-テトラデカヒドロ-11-ヒドロキシ-4aβ,7,9,9-テトラメチル-10α-[(E)-2-メチル-2-ブテノイルオキシ]-2,14-ジオキソ-7β,11β-メタノ-12aH-シクロオクタ[f][2]ベンゾピラン-8β-酢酸メチル
  • (1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-15-[(1R)-1-(アセチルオキシ)-2-メトキシ-2-オキソエチル]-9-(フラン-3-イル)-1-ヒドロキシ-10,14,16,16-テトラメチル-7,18-ジオキソ-3,8-ジオキサペンタシクロ[12.3.1.02,4.04,13.05,10]オクタデカン-17-イル (2E)-2-メチルブタ-2-エノアート
  • (1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-15-[(1R)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl (2E)-2-methylbut-2-enoate
Other name (1):
  • (4R,αR)-α-Acetoxy-12β,12aβ-epoxy-4β-(3-furanyl)-1,2,4,4a,5,6,6aβ,7,8,9,10,11,12,12bβ-tetradecahydro-11-hydroxy-4aβ,7,9,9-tetramethyl-10α-[(E)-2-methyl-2-butenoyloxy]-2,14-dioxo-7β,11β-methano-12aH-cycloocta[f][2]benzopyran-8β-acetic acid methyl ester
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