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CAS RN 42553-65-1

CH3H3CH3COO(S)O(R)O(R)O(R)HO(S)OH(S)OH(R)OH(S)OH(S)HO(R)HOCH3OO(S)O(R)O(R)O(R)HO(S)HO(S)OH(R)OH(S)OH(S)OH(R)OH(E)(E)(E)(E)(E)(E)(E)

CAS RN 42553-65-1

IUPAC Name: 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]oxy}methyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Synonyms: saffron crocetin digentiobiose ester α-crocin crocin 1 crocin ccris 678 gardenia yellow crocetin bis(gentiobiosyl) ester
Molecular Weight (g/mol): 976.97
Molecular Formula: C44H64O24
InChi Key: SEBIKDIMAPSUBY-RTJKDTQDSA-N
SMILES: 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)/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
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1 – 2 of 2 results
1

Crocin (Gardenia Fruits Extract), TCI America™
SDP

CAS: 42553-65-1 Molecular Formula: C44H64O24 Molecular Weight (g/mol): 976.972 MDL Number: MFCD00017495 InChI Key: SEBIKDIMAPSUBY-AWBRESQISA-N Synonym: Crocetin Digentiobiosyl Ester PubChem CID: 133562570 IUPAC Name: 1-O-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E, SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O

PubChem CID 133562570
CAS 42553-65-1
Molecular Weight (g/mol) 976.972
MDL Number MFCD00017495
SMILES CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O
Synonym Crocetin Digentiobiosyl Ester
IUPAC Name 1-O-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,
InChI Key SEBIKDIMAPSUBY-AWBRESQISA-N
Molecular Formula C44H64O24
2

Saffron, Certified Biological Stain, Powder, HARLECO™, MilliporeSigma™

CAS: 42553-65-1 Molecular Formula: C44H64O24 Molecular Weight (g/mol): 976.972 InChI Key: SEBIKDIMAPSUBY-AWBRESQISA-N PubChem CID: 133562570 IUPAC Name: 1-O-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E, SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O

PubChem CID 133562570
CAS 42553-65-1
Molecular Weight (g/mol) 976.972
SMILES CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O
IUPAC Name 1-O-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,
InChI Key SEBIKDIMAPSUBY-AWBRESQISA-N
Molecular Formula C44H64O24