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β-Carotene-[13C4]

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General Information
Catalog: BLP-007672
Molecular Formula: C36[13C]4H56
Molecular Weight: 540.84

Chemical Structure

Description	Labelled β-Carotene. β-Carotene is an organic compound and classified as a terpenoid. It is a precursor (inactive form) of vitamin A. β-carotene is widely used in food industry, feed industry, medicine and cosmetics industry.
Synonyms	1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)(1,2,3,4-13C4)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene
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)(1,2,3,4-13C4)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Related CAS	7235-40-7 (unlabelled)
Canonical SMILES	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(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/h11-14,17-22,25-28H,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+/i21+1,25+1,27+1,33+1
InChI Key	OENHQHLEOONYIE-LLPYNPHMSA-N
Purity	>98%