Chem
J-GLOBAL ID：201007014322746263   Nikkaji number：J2.798.387A

Glucosyl 4,4′-diaponeurosporenoate

4,4′-ジアポノイロスポレン酸グルコシル
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： C36H50O7
Molecular formula furigana： C36-H50-O7
Molecular weight： 594.789
InChI： InChI=1S/C36H50O7/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)35(41)43-36-34(40)33(39)32(38)31(24-37)42-36/h8-9,11-16,18-23,31-34,36-40H,10,17,24H2,1-7H3/b9-8+,18-11+,19-12+,22-13+,26-15+,27-16+,28-20+,29-21+,30-23+/t31-,32-,33+,34-,36+/m1/s1
InChI key： ZBQZCMIYCTXPBB-GQBMLQGDSA-N
SMILES： CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C)/C)C
Systematic name  (3)：
  • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-ヘキサメチル-2,4,6,8,10,12,14,16,18,22-テトラコサデカエン酸β-D-グルコピラノシル
  • (2S,3R,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 (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-ヘキサメチルテトラコサ-2,4,6,8,10,12,14,16,18,22-デカエノアート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate
Other name (3)：
  • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoic acid β-D-glucopyranosyl ester
  • Glucosyl 4,4′-diaponeurosporenoate
  • 4,4′-ジアポノイロスポレン酸グルコシル
KEGG COMPOUND： C16147
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