Chemical Compound

bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10Z,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

CAS Registry Number 42553-65-1
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10Z,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 结构式
Primary record

bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10Z,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

库存
6,517 克
纯度
98.1 %
CAS
42553-65-1

化合物标识与属性

CAS
42553-65-1
PubChem CID
24721245
SMILES
C/C(=C\C=C\C=C(\C)/C=C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
Canonical SMILES
CC(=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)/C=C/C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

名称与同义词

  • Crocin
  • Crocin I
  • alpha-Crocin
  • Gardenia Yellow
  • Alpha-Crocin;
  • Crocin A
  • Crocin 1
  • Crocin 4
  • CROCIN centn
  • Crocetin digentiobiose ester
  • CCRIS 678
  • UNII-877GWI46C2
  • Crocin (gardenia fruit extract)
  • Crocetin bis(gentiobiosyl) ester
  • HSDB 8211
  • C44H64O24
  • EINECS 255-881-6
  • MFCD11044877
  • AKOS025311578
  • ZINC238809416
  • ZINC252441667
  • CCG-270600
  • BRN 6473367
  • C44-H64-O24
  • 42553-65-1
  • K037
  • S4758
  • ST24046373
  • trans-Crocetin di(beta-D-gentiobiosyl) ester
  • all-trans-Crocetin di-beta-D-gentiobiosyl ester
  • Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-.psi.,.psi.-carotenedioate
  • 8,8'-Diapo-.psi.,.psi.-carotenedioic acid, bis(6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl) ester
  • 94238-00-3
  • bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10Z,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate