Chem
J-GLOBAL ID：200907081559891576   Nikkaji number：J608.976C

Aviculin

アビクリン
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： C26H34O10
Molecular formula furigana： C26-H34-O10
Molecular weight： 506.548
InChI： InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1
InChI key： FPJFPMQEUVMUKU-CDDCGRQRSA-N
SMILES： COc1cc2C[C@@H](CO)[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](c3ccc(O)c(OC)c3)c2cc1O
Systematic name  (4)：
  • 3-メトキシ-6β-(ヒドロキシメチル)-7α-[(α-L-ラムノピラノシルオキシ)メチル]-8β-(3-メトキシ-4-ヒドロキシフェニル)-5,6,7,8-テトラヒドロナフタレン-2-オール
  • [[(1S)-1α-(3-メトキシ-4-ヒドロキシフェニル)-3α-(ヒドロキシメチル)-6-メトキシ-7-ヒドロキシテトラリン-2β-イル]メチル]α-L-ラムノピラノシド
  • (2R,3R,4R,5R,6S)-2-{[(1S,2R,3R)-7-ヒドロキシ-1-(4-ヒドロキシ-3-メトキシフェニル)-3-(ヒドロキシメチル)-6-メトキシ-1,2,3,4-テトラヒドロナフタレン-2-イル]メトキシ}-6-メチルオキサン-3,4,5-トリオール
  • (2R,3R,4R,5R,6S)-2-{[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-methyloxane-3,4,5-triol
Other name (6)：
  • アビクリン
  • Aviculin
  • 3-Methoxy-6β-(hydroxymethyl)-7α-[(α-L-rhamnopyranosyloxy)methyl]-8β-(3-methoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
  • [[(1S)-1α-(3-Methoxy-4-hydroxyphenyl)-3α-(hydroxymethyl)-6-methoxy-7-hydroxytetralin-2β-yl]methyl]α-L-rhamnopyranoside
  • (+)-イソラリシレシノール3-O-α-L-ラムノシド
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