Beta Carotene
Representations & DB's id
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| ChEBI: | CHEBI:17579 | |
|---|---|---|
| ChEMBL: | CHEMBL1293 | |
| PubChem: | 5280489 | |
| IUPAC: | 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 | |
| Standard 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+ | |
| Standard InChI Key: | OENHQHLEOONYIE-JLTXGRSLSA-N | |
| SMILES: | C/C(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C | |
Molecular propeties
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| AlogP: | 12.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 2 | |
| Molecular Weight: | 536.44 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.45 | |
| Number of carbons: | 40 | |