Chem
J-GLOBAL ID：201007044969930089   Nikkaji number：J2.799.792I

Thermobiszeaxanthin-13-15

テルモビスゼアキサンチン-13-15
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： C80H128O14
Molecular formula furigana： C80-H128-O14
Molecular weight： 1313.890
InChI： InChI=1S/C80H128O14/c1-55(2)35-27-23-19-16-15-17-21-25-29-43-69(81)89-53-67-71(83)73(85)75(87)77(93-67)91-63-49-61(9)65(79(11,12)51-63)47-45-59(7)41-33-39-57(5)37-31-32-38-58(6)40-34-42-60(8)46-48-66-62(10)50-64(52-80(66,13)14)92-78-76(88)74(86)72(84)68(94-78)54-90-70(82)44-30-26-22-18-20-24-28-36-56(3)4/h31-34,37-42,45-48,55-56,63-64,67-68,71-78,83-88H,15-30,35-36,43-44,49-54H2,1-14H3/b32-31+,39-33+,40-34+,47-45+,48-46+,57-37+,58-38+,59-41+,60-42+/t63-,64-,67-,68-,71-,72-,73+,74+,75-,76-,77?,78?/m1/s1
InChI key： NNYPEIWREFPFHY-GFVHTRIJSA-N
SMILES： CC(C)CCCCCCCCCCCC(=O)OC[C@H]1OC(O[C@@H]2CC(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(C)C[C@H](CC3(C)C)OC3O[C@H](COC(=O)CCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)/C)/C)C(C)(C)C2)C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3β-[6-O-(11-メチルドデカノイル)-D-グルコピラノシルオキシ]-3′β-[6-O-(13-メチルテトラデカノイル)-D-グルコピラノシルオキシ]-β,β-カロテン
  • [(2R,3S,4S,5R)-3,4,5-トリヒドロキシ-6-{[(1R)-3,5,5-トリメチル-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-テトラメチル-18-[(4R)-2,6,6-トリメチル-4-{[(3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-{[(11-メチルドデカノイル)オキシ]メチル}オキサン-2-イル]オキシ}シクロヘキサ-1-エン-1-イル]オクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]シクロヘキサ-3-エン-1-イル]オキシ}オキサン-2-イル]メチル 13-メチルテトラデカノアート
  • [(2R,3S,4S,5R)-3,4,5-trihydroxy-6-{[(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-{[(11-methyldodecanoyl)oxy]methyl}oxan-2-yl]oxy}cyclohex-1-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl]oxy}oxan-2-yl]methyl 13-methyltetradecanoate
Other name (3)：
  • 3β-[6-O-(11-Methyldodecanoyl)-D-glucopyranosyloxy]-3′β-[6-O-(13-methyltetradecanoyl)-D-glucopyranosyloxy]-β,β-carotene
  • Thermobiszeaxanthin-13-15
  • テルモビスゼアキサンチン-13-15
KEGG COMPOUND： C15963
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