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β-Cryptoxanthin palmitate

CAT: 0931-TN11377-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11377-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6081-47-6
Target
Others
Related Pathways
Others
Bioactivity
β-Cryptoxanthin palmitate, a carotenoid, is abundantly found in fruit peels. Carotenoids possess significant biological activities, potentially playing roles in the regulation of cell differentiation, growth control, photoprotection, cell membrane stability, photosynthesis, vision processes, and nutrition.
Smiles
O(C(CCCCCCCCCCCCCCC)=O)[C@H]1CC(C)(C)C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C)(C)CCCC2C)\C)\C)/C)/C)=C(C)C1
Molecular Formula
C56H86O2
Molecular Weight
791.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

beta-Cryptoxanthin palmitate
CAS Number6081-47-6
PubChem CID86291095
IUPAC Name[(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] hexadecanoate
Molecular FormulaC56H86O2
Molecular Weight791.3
XLogP20.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count26
Heavy Atom Count58
Formal Charge0
Complexity1600
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C)/C)/C)C
InChI
InChI=1S/C56H86O2/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-37-54(57)58-51-43-50(7)53(56(10,11)44-51)41-39-48(5)35-28-33-46(3)31-26-25-30-45(2)32-27-34-47(4)38-40-52-49(6)36-29-42-55(52,8)9/h25-28,30-35,38-41,51H,12-24,29,36-37,42-44H2,1-11H3/b26-25+,32-27+,33-28+,40-38+,41-39+,45-30+,46-31+,47-34+,48-35+/t51-/m1/s1
InChIKey
YAOOAGLXXPOKMH-XHVVRQHHSA-N
Chemical Structure
2D Structure
2D structure of beta-Cryptoxanthin palmitate
CAS: 6081-47-6
CID: 86291095
Formula: C56H86O2
MW: 791.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight791.3
XLogP320.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count26
Exact Mass790.66278198
Monoisotopic Mass790.66278198
Topological Polar Surface Area26.3 Ų
Heavy Atom Count58
Formal Charge0
Complexity1600
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count9
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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