Chem
J-GLOBAL ID：200907051348412314   Nikkaji number：J1.112.991I

(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 (1R,2R,3R)-1-[(1R)-1,2-dihydroxyethyl]-2,3,4-trihydroxybutyl 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(1R,2R,3R)-1-[(1R)-1,2-ジヒドロキシエチル]-2,3,4-トリヒドロキシブチル
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： C41H74O15
Molecular formula furigana： C41-H74-O15
Molecular weight： 807.028
InChI： InChI=1S/C41H74O15/c1-11-21(2)12-22(3)13-25(6)37(56-40-36(51)35(50)34(49)31(20-44)54-40)26(7)14-23(4)16-41(10,53)17-28(9)32(47)24(5)15-27(8)39(52)55-38(30(46)19-43)33(48)29(45)18-42/h14-15,17,21-22,24-26,29-38,40,42-51,53H,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+,38+,40-,41-/m0/s1
InChI key： CJKWYWFPAULVPI-KXTDCBDGSA-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)O[C@H]([C@H](O)CO)[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(1R,2R,3R)-1-[(1R)-1,2-ジヒドロキシエチル]-2,3,4-トリヒドロキシブチル
  • (2R,3R,4R,5R)-1,2,4,5,6-ペンタヒドロキシヘキサン-3-イル (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,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl (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 (1R,2R,3R)-1-[(1R)-1,2-dihydroxyethyl]-2,3,4-trihydroxybutyl ester
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