Chem
J-GLOBAL ID：200907029512990639   Nikkaji number：J1.112.994C

(2E,4S,6E,8S,10E,12S,13R,14S,16S,18S)-2,4,6,8,10,12,14,16,18-Nonamethyl-5,8-dihydroxy-13-(6-O-acetyl-β-D-mannopyranosyloxy)-2,6,10-icosanetrienoic acid (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl 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-(6-O-アセチル-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,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル
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： C43H76O16
Molecular formula furigana： C43-H76-O16
Molecular weight： 849.065
InChI： InChI=1S/C43H76O16/c1-12-22(2)13-23(3)14-26(6)40(59-42-39(53)38(52)37(51)33(58-42)21-56-30(10)45)27(7)15-24(4)17-43(11,55)18-29(9)34(48)25(5)16-28(8)41(54)57-20-32(47)36(50)35(49)31(46)19-44/h15-16,18,22-23,25-27,31-40,42,44,46-53,55H,12-14,17,19-21H2,1-11H3/b24-15+,28-16+,29-18+/t22-,23-,25-,26-,27-,31+,32+,33+,34?,35+,36+,37+,38-,39-,40+,42-,43-/m0/s1
InChI key： JYXIGQCRUJVFLH-DNYOKZBISA-N
SMILES： CC[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O[C@@H]1O[C@H](COC(=O)C)[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)[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-(6-O-アセチル-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,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル
  • (2R,3R,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル (2E,4S,6E,8S,10E,12S,13R,14S,16S,18S)-13-{[(2R,3S,4S,5S,6R)-6-[(アセチルオキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-5,8-ジヒドロキシ-2,4,6,8,10,12,14,16,18-ノナメチルイコサ-2,6,10-トリエノアート
  • (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl (2E,4S,6E,8S,10E,12S,13R,14S,16S,18S)-13-{[(2R,3S,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,8-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-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-(6-O-acetyl-β-D-mannopyranosyloxy)-2,6,10-icosanetrienoic acid (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl ester
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