Chem
J-GLOBAL ID：200907070209584385   Nikkaji number：J1.541.547I

15-(6-O-α-L-Arabinofuranosyl-β-D-glucopyranosyloxy)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),8,14,16-heptene-3-ol

15-(6-O-α-L-アラビノフラノシル-β-D-グルコピラノシルオキシ)-16,17-ジメトキシトリシクロ[12.3.1.12,6]ノナデカ-1(18),2,4,6(19),8,14,16-ヘプタエン-3-オール
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： C32H42O13
Molecular formula furigana： C32-H42-O13
Molecular weight： 634.675
InChI： InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h4,6,10-13,21-27,31-39H,3,5,7-9,14-15H2,1-2H3/t21-,22+,23-,24+,25-,26+,27+,31+,32-/m0/s1
InChI key： CKGPMQKYPJTHRX-VKPXEYKOSA-N
SMILES： COc1c(OC)c2cc(CCCCC=CCc3ccc(O)c2c3)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 15-[(6-O-α-L-アラビノフラノシル-β-D-グルコピラノシル)オキシ]-16,17-ジメトキシトリシクロ[12.3.1.12,6]ノナデカ-1(18),2,4,6(19),8,14,16-ヘプタエン-3-オール
  • 15-(6-O-α-L-アラビノフラノシル-β-D-グルコピラノシルオキシ)-16,17-ジメトキシトリシクロ[12.3.1.12,6]ノナデカ-1(18),2,4,6(19),8,14,16-ヘプタエン-3-オール
  • (2R,3S,4S,5R,6S)-2-({[(2R,3R,4R,5S)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]オキシ}メチル)-6-({17-ヒドロキシ-3,4-ジメトキシトリシクロ[12.3.1.12,6]ノナデカ-1(18),2(19),3,5,11,14,16-ヘプタエン-5-イル}オキシ)オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6S)-2-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-({17-hydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,11,14,16-heptaen-5-yl}oxy)oxane-3,4,5-triol
Other name (2)：
  • 15-[(6-O-α-L-Arabinofuranosyl-β-D-glucopyranosyl)oxy]-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),8,14,16-heptene-3-ol
  • 15-(6-O-α-L-Arabinofuranosyl-β-D-glucopyranosyloxy)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),8,14,16-heptene-3-ol
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