Chem
J-GLOBAL ID：201007021705642859   Nikkaji number：J2.799.728G

Thermocryptoxanthin-11

テルモクリプトキサンチン-11
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： C57H86O7
Molecular formula furigana： C57-H86-O7
Molecular weight： 883.308
InChI： InChI=1S/C57H86O7/c1-40(2)23-16-14-13-15-17-31-51(58)62-39-50-52(59)53(60)54(61)55(64-50)63-47-37-46(8)49(57(11,12)38-47)35-33-44(6)29-21-27-42(4)25-19-18-24-41(3)26-20-28-43(5)32-34-48-45(7)30-22-36-56(48,9)10/h18-21,24-29,32-35,40,47,50,52-55,59-61H,13-17,22-23,30-31,36-39H2,1-12H3/b19-18+,26-20+,27-21+,34-32+,35-33+,41-24+,42-25+,43-28+,44-29+/t47-,50-,52-,53+,54-,55?/m1/s1
InChI key： AOPPEYCPJLSBEA-XCPACDMKSA-N
SMILES： CC(C)CCCCCCCC(=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)CCCC3(C)C)/C)/C)C(C)(C)C2)C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3β-[[6-O-(9-メチルデカノイル)-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-(2,6,6-トリメチルシクロヘキサ-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 9-メチルデカノアート
  • [(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-(2,6,6-trimethylcyclohex-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 9-methyldecanoate
Other name (3)：
  • 3β-[[6-O-(9-Methyldecanoyl)-D-glucopyranosyl]oxy]-β,β-carotene
  • Thermocryptoxanthin-11
  • テルモクリプトキサンチン-11
KEGG COMPOUND： C15952
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