Chem
J-GLOBAL ID：201507095278965722   Nikkaji number：J3.361.599J

Bionectriol B

ビオネクトリオール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： C32H58O10
Molecular formula furigana： C32-H58-O10
Molecular weight： 602.806
InChI： InChI=1S/C32H58O10/c1-10-16(2)11-17(3)12-21(7)30(42-32-29(38)28(37)27(36)24(15-33)41-32)22(8)14-19(5)25(34)18(4)13-20(6)26(35)23(9)31(39)40/h13-14,16-18,21-30,32-38H,10-12,15H2,1-9H3,(H,39,40)/b19-14+,20-13+/t16?,17?,18?,21?,22?,23?,24-,25?,26?,27-,28+,29+,30?,32+/m1/s1
InChI key： DFKXOXPJORCGPM-MGTAOIEESA-N
SMILES： CCC(C)CC(C)CC(C)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(C)/C=C(\C)/C(O)C(C)/C=C(\C)/C(O)C(C)C(=O)O
Systematic name  (3)：
  • (4E,8E)-2,4,6,8,10,12,14,16-オクタメチル-3,7-ジヒドロキシ-11-(β-D-マンノピラノシルオキシ)-4,8-オクタデカジエン酸
  • (4E,8E)-3,7-ジヒドロキシ-2,4,6,8,10,12,14,16-オクタメチル-11-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オクタデカ-4,8-ジエン酸
  • (4E,8E)-3,7-dihydroxy-2,4,6,8,10,12,14,16-octamethyl-11-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dienoic acid
Other name (3)：
  • (4E,8E)-2,4,6,8,10,12,14,16-Octamethyl-3,7-dihydroxy-11-(β-D-mannopyranosyloxy)-4,8-octadecadienoic acid
  • ビオネクトリオールB
  • Bionectriol B
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