
API0232229
Beta-Carotene
Beta-Carotene is a provitamin A carotenoid.
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CAS No.
7235-40-7
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Synonyms
beta-carotene; beta Carotene; Solatene
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CHEMBL ID
CHEMBL1293
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Indications
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Molecule Type
Small molecule
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Compound CID
5280489
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Molecular Weight (g/mol)
536.9
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Molecular Formula
C40H56
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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+
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InChIKey
OENHQHLEOONYIE-JLTXGRSLSA-N
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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
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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
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Exact Mass (Da)
536.438201786
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Monoisotopic Mass (Da)
536.438201786
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