Chem
J-GLOBAL ID：200907081612330956   Nikkaji number：J2.355.467D

Leucasperoside C

ロイカスペロシドC
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： C38H60O16
Molecular formula furigana： C38-H60-O16
Molecular weight： 772.882
InChI： InChI=1S/C38H60O16/c1-7-37(5)10-8-18-17(13-37)19(40)12-22-36(3,4)23(9-11-38(18,22)6)53-35-32(54-34-31(48)27(44)24(41)16(2)50-34)29(46)26(43)21(52-35)15-49-33-30(47)28(45)25(42)20(14-39)51-33/h7,13,16,18,20-35,39,41-48H,1,8-12,14-15H2,2-6H3/t16-,18-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,34-,35-,37-,38+/m0/s1
InChI key： DYQUUDTVSYFIFR-FWDXNEEQSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2O[C@H]2CC[C@]3(C)[C@H]4CC[C@](C)(C=C)C=C4C(=O)C[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (13R)-3β-(2-O-α-L-ラムノピラノシル-6-O-β-D-グルコピラノシル-β-D-グルコピラノシルオキシ)ピマラ-8(14),15-ジエン-7-オン
  • (2S,4aS,4bR,7R,10aR)-2-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-({[(2R,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}メチル)-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-7-エテニル-1,1,4a,7-テトラメチル-1,2,3,4,4a,4b,5,6,7,9,10,10a-ドデカヒドロフェナントレン-9-オン
  • (2S,4aS,4bR,7R,10aR)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-9-one
Other name (3)：
  • (13R)-3β-(2-O-α-L-Rhamnopyranosyl-6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)pimara-8(14),15-diene-7-one
  • Leucasperoside C
  • ロイカスペロシドC
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