Chem
J-GLOBAL ID：200907026220705594   Nikkaji number：J2.626.496K

Glabraoside B

グラブラオシド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： C30H30O13
Molecular formula furigana： C30-H30-O13
Molecular weight： 598.557
InChI： InChI=1S/C30H30O13/c1-11-25(37)26(38)27(39)30(40-11)42-22-8-15-18(33)10-21-24(29(15)43-28(22)13-3-5-17(32)20(35)7-13)14(9-23(36)41-21)12-2-4-16(31)19(34)6-12/h2-7,10-11,14,22,25-28,30-35,37-39H,8-9H2,1H3/t11-,14-,22-,25-,26+,27+,28+,30-/m0/s1
InChI key： OKKMHZTVGJIQAP-CVDMNDBOSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2Cc3c(O)cc4OC(=O)C[C@@H](c5ccc(O)c(O)c5)c4c3O[C@@H]2c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (2R,3S,10S)-3-(6-デオキシ-α-L-マンノピラノシルオキシ)-2,10-ビス(3,4-ジヒドロキシフェニル)-3,4,9,10-テトラヒドロ-5-ヒドロキシ-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-8-オン
  • (4R,5S,14S)-4,14-ビス(3,4-ジヒドロキシフェニル)-8-ヒドロキシ-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-3,11-ジオキサトリシクロ[8.4.0.02,7]テトラデカ-1,7,9-トリエン-12-オン
  • (4R,5S,14S)-4,14-bis(3,4-dihydroxyphenyl)-8-hydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.02,7]tetradeca-1,7,9-trien-12-one
Other name (3)：
  • (2R,3S,10S)-3-(6-Deoxy-α-L-mannopyranosyloxy)-2,10-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-5-hydroxy-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
  • グラブラオシドB
  • Glabraoside B
CAS registry number： 956706-99-3
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