Chem
J-GLOBAL ID:200907004340278726   Nikkaji number:J1.262.073J

Cimicifugoside M

シミシフゴシドM
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: C35H56O9
Molecular formula furigana: C35-H56-O9
Molecular weight: 620.824
InChI: InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18+,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1
InChI key: BTPYUWOBZFGKAI-BKJHYQRZSA-N
SMILES: C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46CC[C@]2(C)[C@@H]13)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C5(C)C
Systematic name  (6):
  • (23R,24S)-16β,23:16α,24-ジエポキシ-9β,19-シクロ-3β-(α-L-アラビノピラノシルオキシ)-5α-ラノスタン-15α,25-ジオール
  • (23R,24S)-3β-(α-L-アラビノピラノシルオキシ)-16β,23:16α,24-ジエポキシ-9β,19-シクロ-5α-ラノスタン-15α,25-ジオール
  • [(23R,24S)-15α,25-ジヒドロキシ-16β,23:16α,24-ジエポキシ-9β,19-シクロ-5α-ラノスタン-3β-イル]α-L-アラビノピラノシド
  • (23R,24S)-16β,23:16α,24-ジエポキシ-3β-(α-L-アラビノピラノシルオキシ)-9,19-シクロラノスタン-15α,25-ジオール
  • (2S,3R,4S,5S)-2-{[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-ヒドロキシ-22-(2-ヒドロキシプロパン-2-イル)-3,8,8,17,19-ペンタメチル-23,24-ジオキサヘプタシクロ[19.2.1.01,18.03,17.04,14.07,12.012,14]テトラコサン-9-イル]オキシ}オキサン-3,4,5-トリオール
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Other name (10):
  • (23R,24S)-16β,23:16α,24-Diepoxy-9β,19-cyclo-3β-(α-L-arabinopyranosyloxy)-5α-lanostane-15α,25-diol
  • (23R,24S)-3β-(α-L-Arabinopyranosyloxy)-16β,23:16α,24-diepoxy-9β,19-cyclo-5α-lanostane-15α,25-diol
  • [(23R,24S)-15α,25-Dihydroxy-16β,23:16α,24-diepoxy-9β,19-cyclo-5α-lanostan-3β-yl]α-L-arabinopyranoside
  • シミシフゴシドM
  • Cimicifugoside M
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