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α-Carotene

CAT: 0931-T13472Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T13472Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7488-99-5
Target
Antioxidant
Related Pathways
Oxidation-Reduction
Bioactivity
α-Carotene is a natural carotenoid and precursor to vitamin A, exhibiting antioxidant and potential anti-cancer properties; high dietary intake of α-carotene may reduce prostate cancer risk.
Smiles
C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=1C(C)(C)CCCC1C)\C)\C)/C)/C)\[C@@H]2C(C)(C)CCC=C2C
Molecular Formula
C40H56
Molecular Weight
536.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alpha-Carotene

(6'R)-beta,epsilon-carotene is an alpha-carotene. It is an enantiomer of a (6'S)-beta,epsilon-carotene.

CAS Number7488-99-5
PubChem CID6419725
IUPAC Name1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Molecular FormulaC40H56
Molecular Weight536.9
XLogP13.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity1200
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)/C)/C
InChI
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1
InChIKey
ANVAOWXLWRTKGA-NTXLUARGSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Carotene
CAS: 7488-99-5
CID: 6419725
Formula: C40H56
MW: 536.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.9
XLogP313.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count10
Exact Mass536.438201786
Monoisotopic Mass536.438201786
Topological Polar Surface Area0 Ų
Heavy Atom Count40
Formal Charge0
Complexity1200
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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