Beta-Carotene

CAT: 0572-TRC-C184250-10MGSize: 10 mgDry Ice: YesHazardous: No

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CAT#:0572-TRC-C184250-10MGSize:10 mg

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CAS Number

7235-40-7

Synonyms

β,β-Carotene; β-Carotene, all-trans- (8CI); (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethylcyclohexene]; BetaVit; Betacarotene; C.I. 40800; C.I. Food Orange 5; Carofertin; Carotaben; Caroten Base 35468; Carotene Base 80; Carotene Base 80S; Carotene Base 80SV; CoroCare; Cyclohexene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-, (all-E)-; Food Orange 5; KPMK; Lucaratin; Lucarotin; Lucarotin 10CWD/O; Lucarotin 20MCT; Lucarotin 30SUN; Lurotin; NSC 62794; Provatene; Provatenol; Rovimix β-carotene; Serlabo; Solatene; all-E-β-Carotene; all-trans-β-Carotene; β-Carotene; (all-E)-3,7,12,16-Tetramethyl-1,18-bis(2,6,6-trimethylcyclohex-1-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaene

Hazard Statement

No Data Available

Smiles

C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C

Molecular Formula

C40 H56

Molecular Weight

536.87

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/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

Additionnal Information

IUPAC name: 1,3,3-trimethyl-2-[(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]cyclohexene

Shipping Conditions

Dry Ice

Storage Conditions

-86°C

Chemical Information

Beta-Carotene

Beta-carotene is a cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. It has a role as a ferroptosis inhibitor, an antioxidant, a cofactor, a biological pigment, a provitamin A, a mouse metabolite, a plant metabolite and a human metabolite. It is a carotenoid beta-end derivative and a cyclic carotene.

CAS Number	7235-40-7
PubChem CID	5280489
IUPAC Name	1,3,3-trimethyl-2-[(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]cyclohexene
Molecular Formula	C40H56
Molecular Weight	536.9
XLogP	13.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	10
Heavy Atom Count	40
Formal Charge	0
Complexity	1120

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/C2=C(CCCC2(C)C)C)\C)\C)/C)/C

InChI

InChIKey

OENHQHLEOONYIE-JLTXGRSLSA-N

Chemical Structure

2D Structure

CAS: 7235-40-7

CID: 5280489

Formula: C40H56

MW: 536.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	536.9
XLogP3	13.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	10
Exact Mass	536.438201786
Monoisotopic Mass	536.438201786
Topological Polar Surface Area	0 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	9
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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