Chem
J-GLOBAL ID：200907021571061896   Nikkaji number：J2.768.209J

3β-[4-O-(β-D-Glucopyranosyl)-β-D-galactopyranosyloxy]-5β-spirostane-12-one

3β-[4-O-(β-D-グルコピラノシル)-β-D-ガラクトピラノシルオキシ]-5β-スピロスタン-12-オン
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： C39H62O14
Molecular formula furigana： C39-H62-O14
Molecular weight： 754.911
InChI： InChI=1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h17-26,28-36,40-41,43-47H,5-16H2,1-4H3/t17?,18-,19+,20-,21+,22-,23-,24-,25+,26+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38+,39+/m0/s1
InChI key： YEKZYRCPUZIPAI-RVOYPVOISA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@]21CCC(C)CO2
Systematic name  (3)：
  • 3β-[4-O-(β-D-グルコピラノシル)-β-D-ガラクトピラノシルオキシ]-5β-スピロスタン-12-オン
  • (1'R,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-16'-{[(2R,3R,4R,5R,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-10'-オン
  • (1'R,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-16'-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-10'-one
Other name (1)：
  • 3β-[4-O-(β-D-Glucopyranosyl)-β-D-galactopyranosyloxy]-5β-spirostane-12-one
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM