Chem
J-GLOBAL ID：200907007689200766   Nikkaji number：J2.355.466F

Leucasperoside B

ロイカスペロシドB
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： C32H50O12
Molecular formula furigana： C32-H50-O12
Molecular weight： 626.740
InChI： InChI=1S/C32H50O12/c1-6-31(4)9-7-16-15(12-31)17(35)11-20-30(2,3)21(8-10-32(16,20)5)43-29-27(25(39)23(37)19(14-34)42-29)44-28-26(40)24(38)22(36)18(13-33)41-28/h6,12,16,18-29,33-34,36-40H,1,7-11,13-14H2,2-5H3/t16-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-,29-,31-,32+/m0/s1
InChI key： JPLVFJHIDXDOIR-UVDPIALLSA-N
SMILES： CC1(C)[C@H](CC[C@]2(C)[C@H]3CC[C@](C)(C=C)C=C3C(=O)C[C@@H]12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (13R)-3β-(2-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-(ヒドロキシメチル)-3-{[(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}-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-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)pimara-8(14),15-diene-7-one
  • Leucasperoside B
  • ロイカスペロシドB
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