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Crocetin

CAT: 1410-M18353-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M18353-02Size:5 mg
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Description
Croceic acid is a singlet oxygen quencher.
CAS Number
27876-94-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
328.4
Molecular Formula
C20H24O4
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Crocetin

Crocetin is a 20-carbon dicarboxylic acid which is a diterpenoid and natural carotenoid. Found in the crocus flower, it has been administered as an anti-fatigue dietary supplement. It has a role as an antioxidant, a metabolite and a nutraceutical. It is a polyunsaturated dicarboxylic acid, a diterpenoid and a carotenoic acid. It is a conjugate acid of a crocetin(2-).

CAS Number27876-94-4
PubChem CID5281232
IUPAC Name(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
Molecular FormulaC20H24O4
Molecular Weight328.4
XLogP5.4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity608
SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C
InChI
InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
InChIKey
PANKHBYNKQNAHN-MQQNZMFNSA-N
Chemical Structure
2D Structure
2D structure of Crocetin
CAS: 27876-94-4
CID: 5281232
Formula: C20H24O4
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass328.16745924
Monoisotopic Mass328.16745924
Topological Polar Surface Area74.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count7
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA8418-5Crocetin
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