Chem
J-GLOBAL ID：200907096090033740   Nikkaji number：J1.658.001E

(+)-(S)-Myricanol 5-glucoside

(+)-(S)-ミリカノール5-グルコシド
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： C27H36O10
Molecular formula furigana： C27-H36-O10
Molecular weight： 520.575
InChI： InChI=1S/C27H36O10/c1-34-25-18-12-15(5-3-4-6-16(29)9-7-14-8-10-19(30)17(18)11-14)24(26(25)35-2)37-27-23(33)22(32)21(31)20(13-28)36-27/h8,10-12,16,20-23,27-33H,3-7,9,13H2,1-2H3/t16-,20+,21+,22-,23+,27-/m0/s1
InChI key： NPSYWDNXSMBWKP-KUKUFDJQSA-N
SMILES： COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2CCCC[C@H](O)CCc3ccc(O)c(c3)c(c2)c1OC
Systematic name  (5)：
  • (9S)-15-(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),14,16-ヘキサエン-3,9-ジオール
  • (9S)-15-[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),14,16-ヘキサエン-3,9-ジオール
  • [(9S)-3,9-ジヒドロキシ-16,17-ジメトキシトリシクロ[12.3.1.12,6]ノナデカン-1(18),2(19),3,5,14,16-ヘキサエン-15-イル]β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(11S)-11,17-ジヒドロキシ-3,4-ジメトキシトリシクロ[12.3.1.12,6]ノナデカ-1(18),2,4,6(19),14,16-ヘキサエン-5-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(11S)-11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (7)：
  • (9S)-15-(β-D-Glucopyranosyloxy)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexene-3,9-diol
  • (9S)-15-[β-D-Glucopyranosyloxy]-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9-diol
  • S-Myricanol 5-O-β-D-glucopyranoside
  • S-ミリカノール5-O-β-D-グルコピラノシド
  • [(9S)-3,9-Dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadecane-1(18),2(19),3,5,14,16-hexaene-15-yl]β-D-glucopyranoside
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