Chem
J-GLOBAL ID：201007093843734072   Nikkaji number：J2.799.755D

Thermocryptoxanthin-13

テルモクリプトキサンチン-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： C59H90O7
Molecular formula furigana： C59-H90-O7
Molecular weight： 911.362
InChI： InChI=1S/C59H90O7/c1-42(2)25-18-16-14-13-15-17-19-33-53(60)64-41-52-54(61)55(62)56(63)57(66-52)65-49-39-48(8)51(59(11,12)40-49)37-35-46(6)31-23-29-44(4)27-21-20-26-43(3)28-22-30-45(5)34-36-50-47(7)32-24-38-58(50,9)10/h20-23,26-31,34-37,42,49,52,54-57,61-63H,13-19,24-25,32-33,38-41H2,1-12H3/b21-20+,28-22+,29-23+,36-34+,37-35+,43-26+,44-27+,45-30+,46-31+/t49-,52-,54-,55+,56-,57?/m1/s1
InChI key： JEEGARLDXJKPPW-LTDAZHCASA-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)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-(11-メチルドデカノイル)-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 11-メチルドデカノアート
  • [(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 11-methyldodecanoate
Other name (3)：
  • 3β-[[6-O-(11-Methyldodecanoyl)-D-glucopyranosyl]oxy]-β,β-carotene
  • Thermocryptoxanthin-13
  • テルモクリプトキサンチン-13
KEGG COMPOUND： C15954
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