Chem
J-GLOBAL ID：201007030725006249   Nikkaji number：J2.799.758I

Thermozeaxanthin-13

テルモゼアキサンチン-13
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： C59H90O8
Molecular formula furigana： C59-H90-O8
Molecular weight： 927.361
InChI： InChI=1S/C59H90O8/c1-41(2)24-18-16-14-13-15-17-19-31-53(61)65-40-52-54(62)55(63)56(64)57(67-52)66-49-37-47(8)51(59(11,12)39-49)35-33-45(6)30-23-28-43(4)26-21-20-25-42(3)27-22-29-44(5)32-34-50-46(7)36-48(60)38-58(50,9)10/h20-23,25-30,32-35,41,48-49,52,54-57,60,62-64H,13-19,24,31,36-40H2,1-12H3/b21-20+,27-22+,28-23+,34-32+,35-33+,42-25+,43-26+,44-29+,45-30+/t48-,49-,52-,54-,55+,56-,57?/m1/s1
InChI key： HHINJQKIQDURLW-UKHFUHSISA-N
SMILES： CC(C)CCCCCCCCCC(=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](O)CC3(C)C)/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-1-オキソドデシル)-D-グルコピラノシルオキシ]-β,β-カロテン-3′β-オール
  • [(2R,3S,4S,5R)-3,4,5-トリヒドロキシ-6-{[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]-3,7,12,16-テトラメチルオクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]-3,5,5-トリメチルシクロヘキサ-3-エン-1-イル]オキシ}オキサン-2-イル]メチル 11-メチルドデカノアート
  • [(2R,3S,4S,5R)-3,4,5-trihydroxy-6-{[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}oxan-2-yl]methyl 11-methyldodecanoate
Other name (3)：
  • 3β-[6-O-(11-Methyl-1-oxododecyl)-D-glucopyranosyloxy]-β,β-carotene-3′β-ol
  • Thermozeaxanthin-13
  • テルモゼアキサンチン-13
KEGG COMPOUND： C15956
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