Chem
J-GLOBAL ID：200907040974843503   Nikkaji number：J1.177.230G

[(25R)-Spirostane-5-ene-3β-yl]6-O-β-L-xylopyranosyl-β-D-glucopyranoside

[(25R)-スピロスタン-5-エン-3β-イル]6-O-β-L-キシロピラノシル-β-D-グルコピラノシド
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： C38H60O12
Molecular formula furigana： C38-H60-O12
Molecular weight： 708.886
InChI： InChI=1S/C38H60O12/c1-18-7-12-38(47-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)48-35-33(44)31(42)30(41)27(49-35)17-46-34-32(43)29(40)25(39)16-45-34/h5,18-19,21-35,39-44H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38-/m1/s1
InChI key： JBPAOJHDQFATCZ-CNVNRCJSSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@]21CC[C@@H](C)CO2
Systematic name  (3)：
  • [(25R)-スピロスタン-5-エン-3β-イル]6-O-β-L-キシロピラノシル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-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]-18'-エネオキシ]-6-({[(2R,3S,4R,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]-6-({[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (1)：
  • [(25R)-Spirostane-5-ene-3β-yl]6-O-β-L-xylopyranosyl-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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