74563-64-7 Purity
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Specification
The molecular formula of Carotene is C40H56.
The molecular weight of Carotene is 536.9 g/mol.
The IUPAC Name of Carotene is 1,3,3-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.
The InChI code for Carotene is 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.
The Canonical SMILES for Carotene is CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C.
The CAS number for Carotene is 7488-99-5.
Carotene has 0 hydrogen bond donor count.
Carotene has 10 rotatable bond counts.
The XLogP3-AA value for Carotene is 13.6.
Carotene is a natural product found in Hibiscus syriacus, Scandix stellata, and other organisms with available data.