Chem
J-GLOBAL ID：200907059640204812   Nikkaji number：J2.552.642B

Tokoronin

トコロニン
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： C32H52O9
Molecular formula furigana： C32-H52-O9
Molecular weight： 580.759
InChI： InChI=1S/C32H52O9/c1-15-7-10-32(39-13-15)16(2)24-23(41-32)12-20-18-6-5-17-11-21(33)26(36)28(31(17,4)19(18)8-9-30(20,24)3)40-29-27(37)25(35)22(34)14-38-29/h15-29,33-37H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29+,30+,31+,32-/m1/s1
InChI key： GZMNAJUVLAIUAJ-QULIKHEVSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@@H](O)[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21CC[C@@H](C)CO2
Systematic name  (3)：
  • (25R)-1β-(α-L-アラビノピラノシルオキシ)-5β-スピロスタン-2β,3α-ジオール
  • (2S,3R,4S,5S)-2-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,14'S,15'R,16'S,18'R)-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]-15',16'-ジオロキシ]オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S)-2-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,14'S,15'R,16'S,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]-15',16'-dioloxy]oxane-3,4,5-triol
Other name (3)：
  • (25R)-1β-(α-L-Arabinopyranosyloxy)-5β-spirostane-2β,3α-diol
  • トコロニン
  • Tokoronin
KEGG COMPOUND： C08916
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