Chem
J-GLOBAL ID：201007051500844250   Nikkaji number：J2.799.806B

Thermobiszeaxanthin-15-15

テルモビスゼアキサンチン-15-15
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： C82H132O14
Molecular formula furigana： C82-H132-O14
Molecular weight： 1341.944
InChI： InChI=1S/C82H132O14/c1-57(2)37-29-25-21-17-15-19-23-27-31-45-71(83)91-55-69-73(85)75(87)77(89)79(95-69)93-65-51-63(9)67(81(11,12)53-65)49-47-61(7)43-35-41-59(5)39-33-34-40-60(6)42-36-44-62(8)48-50-68-64(10)52-66(54-82(68,13)14)94-80-78(90)76(88)74(86)70(96-80)56-92-72(84)46-32-28-24-20-16-18-22-26-30-38-58(3)4/h33-36,39-44,47-50,57-58,65-66,69-70,73-80,85-90H,15-32,37-38,45-46,51-56H2,1-14H3/b34-33+,41-35+,42-36+,49-47+,50-48+,59-39+,60-40+,61-43+,62-44+/t65-,66-,69-,70-,73-,74-,75+,76+,77-,78-,79?,80?/m1/s1
InChI key： VVKAQZYKDOWNFD-FMZQEZSSSA-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)CCCCCCCCCCCC(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-(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-{[(13-メチルテトラデカノイル)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-{[(13-methyltetradecanoyl)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,3′β-Bis[6-O-(13-methyltetradecanoyl)-D-glucopyranosyloxy]-β,β-carotene
  • Thermobiszeaxanthin-15-15
  • テルモビスゼアキサンチン-15-15
KEGG COMPOUND： C15964
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