Chem
J-GLOBAL ID:200907084747874084
Nikkaji number:J1.959.051H
Swietenialide D
スウィーテニアリドD
Download MOL file
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:
C40 H54 O17
Molecular formula furigana:
C40-H54-O17
Molecular weight:
806.855
InChI:
InChI=1S/C40H54O17/c1-11-26(43)52-32-29(46)31(53-33(47)37(7)19(2)54-37)35(5)17-25-36(6,22(35)14-27(44)48-9)40-24(42)16-34(4,30(51-20(3)41)21-12-13-50-18-21)23(15-28(45)49-10)39(32,40)56-38(8,55-25)57-40/h12-13,18-19,22-25,29-32,42,46H,11,14-17H2,1-10H3/t19?,22-,23+,24+,25?,29-,30-,31+,32+,34+,35+,36+,37?,38?,39+,40-/m0/s1
InChI key:
SBOCNDPVWBAYNN-WKJFOSNOSA-N
SMILES:
CCC(=O)O[C@@H]1[C@@H](O)[C@@H](OC(=O)C2(C)OC2C)[C@]2(C)CC3OC4(C)O[C@@]51[C@H](CC(=O)OC)[C@@](C)(C[C@@H](O)[C@]5(O4)[C@]3(C)[C@H]2CC(=O)OC)[C@@H](OC(=O)C)c1ccoc1
Systematic name (3):
(1R,2R,3S,4S,5R,6S,7R,12R,13R,15R,16R)-2-(プロピオニルオキシ)-3,13-ジヒドロキシ-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-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,15R,16R)-15-[(R)-(アセチルオキシ)(フラン-3-イル)メチル]-3,13-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-2-(プロパノイルオキシ)-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,15R,16R)-15-[(R)-(acetyloxy)(furan-3-yl)methyl]-3,13-dihydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-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,15R,16R)-2-(Propionyloxy)-3,13-dihydroxy-4-[(2,3-dimethyloxiranyl)carbonyloxy]-5,7,10,15-tetramethyl-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D
Swietenialide D
Thsaurus map:
Return to Previous Page