Chem
J-GLOBAL ID：200907097555609373   Nikkaji number：J1.112.992G

(2E,4S,6E,8S,10E,12S,13R,14S,16S,18S)-2,4,6,8,10,12,14,16,18-Nonamethyl-5,8-dihydroxy-13-(β-D-mannopyranosyloxy)-2,6,10-icosanetrienoic acid (2R,3R,4R)-2,3,4,5-tetrahydroxypentyl ester

(2E,4S,6E,8S,10E,12S,13R,14S,16S,18S)-2,4,6,8,10,12,14,16,18-ノナメチル-5,8-ジヒドロキシ-13-(β-D-マンノピラノシルオキシ)-2,6,10-イコサントリエン酸(2R,3R,4R)-2,3,4,5-テトラヒドロキシペンチル
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： C40H72O14
Molecular formula furigana： C40-H72-O14
Molecular weight： 777.002
InChI： InChI=1S/C40H72O14/c1-11-21(2)12-22(3)13-25(6)37(54-39-36(49)35(48)34(47)31(19-42)53-39)26(7)14-23(4)16-40(10,51)17-28(9)32(45)24(5)15-27(8)38(50)52-20-30(44)33(46)29(43)18-41/h14-15,17,21-22,24-26,29-37,39,41-49,51H,11-13,16,18-20H2,1-10H3/b23-14+,27-15+,28-17+/t21-,22-,24-,25-,26-,29+,30+,31+,32?,33+,34+,35-,36-,37+,39-,40-/m0/s1
InChI key： VHYFYEZKWOHMJW-IXDJGJGVSA-N
SMILES： CC[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](C)/C=C(\C)/C[C@](C)(O)/C=C(\C)/C(O)[C@@H](C)/C=C(\C)/C(=O)OC[C@@H](O)[C@H](O)[C@H](O)CO
Systematic name  (3)：
  • (2E,4S,6E,8S,10E,12S,13R,14S,16S,18S)-2,4,6,8,10,12,14,16,18-ノナメチル-5,8-ジヒドロキシ-13-(β-D-マンノピラノシルオキシ)-2,6,10-イコサントリエン酸(2R,3R,4R)-2,3,4,5-テトラヒドロキシペンチル
  • (2R,3R,4R)-2,3,4,5-テトラヒドロキシペンチル (2E,4S,6E,8S,10E,12S,13R,14S,16S,18S)-5,8-ジヒドロキシ-2,4,6,8,10,12,14,16,18-ノナメチル-13-{[(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}イコサ-2,6,10-トリエノアート
  • (2R,3R,4R)-2,3,4,5-tetrahydroxypentyl (2E,4S,6E,8S,10E,12S,13R,14S,16S,18S)-5,8-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icosa-2,6,10-trienoate
Other name (1)：
  • (2E,4S,6E,8S,10E,12S,13R,14S,16S,18S)-2,4,6,8,10,12,14,16,18-Nonamethyl-5,8-dihydroxy-13-(β-D-mannopyranosyloxy)-2,6,10-icosanetrienoic acid (2R,3R,4R)-2,3,4,5-tetrahydroxypentyl ester
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