Chem
J-GLOBAL ID：200907059130105747   Nikkaji number：J1.959.052F

Swietenialide E

スウィーテニアリドE
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： C41H54O19
Molecular formula furigana： C41-H54-O19
Molecular weight： 850.864
InChI： InChI=1S/C41H54O19/c1-19-37(8,57-19)33(48)56-31-29(53-20(2)42)32(55-22(4)44)41-39(49,17-28(47)51-11)35(6,30(54-21(3)43)23-12-13-52-18-23)15-25(45)40(41)36(7)24(14-27(46)50-10)34(31,5)16-26(36)58-38(9,59-40)60-41/h12-13,18-19,24-26,29-32,45,49H,14-17H2,1-11H3/t19?,24-,25+,26?,29-,30+,31+,32+,34+,35-,36+,37?,38?,39-,40-,41+/m0/s1
InChI key： OSZKLCHRZDFWDF-QEWHXTCESA-N
SMILES： COC(=O)C[C@H]1[C@@]2(C)CC3OC4(C)O[C@@]5([C@H](O)C[C@@](C)([C@H](OC(=O)C)c6ccoc6)[C@@](O)(CC(=O)OC)[C@]5(O4)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]2OC(=O)C2(C)OC2C)[C@]13C
Systematic name  (3)：
  • (1R,2R,3S,4S,5R,6S,7R,12R,13R,15S,16S)-2,3-ジアセトキシ-4-[(2,3-ジメチルオキシラニル)カルボニルオキシ]-5,7,10,15-テトラメチル-13,16-ジヒドロキシ-15-[(R)-アセトキシ(3-フリル)メチル]-9,11,17-トリオキサペンタシクロ[8.6.1.15,8.01,12.07,12]オクタデカン-6,16-ビス(酢酸メチル)
  • (1R,2R,3S,4S,5R,6S,7R,12R,13R,15S,16S)-2,3-ビス(アセチルオキシ)-15-[(R)-(アセチルオキシ)(フラン-3-イル)メチル]-13,16-ジヒドロキシ-6,16-ビス(2-メトキシ-2-オキソエチル)-5,7,10,15-テトラメチル-9,11,17-トリオキサペンタシクロ[8.6.1.15,8.01,12.07,12]オクタデカン-4-イル 2,3-ジメチルオキシラン-2-カルボキシラート
  • (1R,2R,3S,4S,5R,6S,7R,12R,13R,15S,16S)-2,3-bis(acetyloxy)-15-[(R)-(acetyloxy)(furan-3-yl)methyl]-13,16-dihydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-9,11,17-trioxapentacyclo[8.6.1.15,8.01,12.07,12]octadecan-4-yl 2,3-dimethyloxirane-2-carboxylate
Other name (3)：
  • (1R,2R,3S,4S,5R,6S,7R,12R,13R,15S,16S)-2,3-Diacetoxy-4-[(2,3-dimethyloxiranyl)carbonyloxy]-5,7,10,15-tetramethyl-13,16-dihydroxy-15-[(R)-acetoxy(3-furyl)methyl]-9,11,17-trioxapentacyclo[8.6.1.15,8.01,12.07,12]octadecane-6,16-bis(acetic acid methyl) ester
  • スウィーテニアリドE
  • Swietenialide E
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