Chem
J-GLOBAL ID：201007093987901607   Nikkaji number：J2.799.776G

Thermobiszeaxanthin-13-13

テルモビスゼアキサンチン-13-13
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： C78H124O14
Molecular formula furigana： C78-H124-O14
Molecular weight： 1285.836
InChI： InChI=1S/C78H124O14/c1-53(2)33-25-21-17-15-19-23-27-41-67(79)87-51-65-69(81)71(83)73(85)75(91-65)89-61-47-59(9)63(77(11,12)49-61)45-43-57(7)39-31-37-55(5)35-29-30-36-56(6)38-32-40-58(8)44-46-64-60(10)48-62(50-78(64,13)14)90-76-74(86)72(84)70(82)66(92-76)52-88-68(80)42-28-24-20-16-18-22-26-34-54(3)4/h29-32,35-40,43-46,53-54,61-62,65-66,69-76,81-86H,15-28,33-34,41-42,47-52H2,1-14H3/b30-29+,37-31+,38-32+,45-43+,46-44+,55-35+,56-36+,57-39+,58-40+/t61-,62-,65-,66-,69-,70-,71+,72+,73-,74-,75?,76?/m1/s1
InChI key： VONGOBDGENIJJS-GISNKCBBSA-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](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,3′β-ビス[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-[(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 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-[(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 11-methyldodecanoate
Other name (3)：
  • 3β,3′β-Bis[6-O-(11-methyldodecanoyl)-D-glucopyranosyloxy]-β,β-carotene
  • Thermobiszeaxanthin-13-13
  • テルモビスゼアキサンチン-13-13
KEGG COMPOUND： C15959
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