Basic information
- CAS
94238-00-3- Standard SMILES
CC(/C=C/C=C(\C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
SEBIKDIMAPSUBY-CKZAFTHVSA-N- Molecular formula
- C44H64O24
- Average molar mass
- 977 g/mol
- Monoisotopic mass
- 976.3787529
Overview
See also: Crocin (annotation moved to).
Names & identifiers
- Preferred name
- Gardenia Yellow
- IUPAC
- bis[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
- English name
- GARDENIA YELLOW
- Molecular formula
- C44H64O24
- Molecular weight
- 976.96456
Names & synonyms
Gardenia YellowC44H64O24Crocin?I?-Crocin94238-00-3Crocin I [M+H]+AKOS040749063LS-15461NS00014803bis[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioateCrocineGARDENIAPIGMENT
Show more names
Kuchinashi yellowRikecolor Kuchinashi 20Oritavancin diphosphaterGardenia yellow pigment E60*Gardenia yellow, 10 mM in DMSOGardenia Yellow Solution,1000ppmKuchinashi yellow/Gardenia yellow
Database identifiers
- CAS
94238-00-3- PubChem CID
- 6370943
- EC Number
- 692-668-0
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 391 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 20
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,730
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/mL · DMSO : 30 mg/mL
- form
- Solid
- color
- Orange to red
- Water Solubility
- 25 mg/mL · Water : 25 mg/mL
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 32 BA2H92Z · F32BA2H92Z
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
Use ClassificationFood Additives -> COLOUR; Food Additives -> -> JECFA Functional Classes
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Additional notes
DefinitionChEBI: Crocin-1 is a diester that is crocetin in which both of the carboxy groups have been converted to their gentiobiosyl esters. It is one of the water-soluble yellow-red pigments of saffron and is used as a spice for flavouring and colouring food. Note that in India, the term 'Crocin' is also used by GlaxoSmithKline as a brand-name for paracetamol. It has a role as an antioxidant, a food colouring, a plant metabolite and a histological dye. It is a diester, a disaccharide derivative and a diterpenoid. It is functionally related to a beta-D-gentiobiosyl crocetin and a gentiobiose.
Related reactions
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Compound notes
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