beta-carotene
Molecular Formula:
C40H56
InChI: InChI=1/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+
InChIKey: InChIKey=OENHQHLEOONYIE-JLTXGRSLBT
SMILES: CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1
CAS number 7235-40-7
Names:
all-trans-β-carotene
beta-Carotene
BETA-CAROTENE
beta-carotene
β-carotene
β-Karotin
(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaene
.beta. Carotene
.beta.,.beta.-Carotene
1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)
Registries:
PubChem CID 5280489
Beilstein =1917416
CAS 7235-40-7 (from NIST)
ChEBI 17579
chemPDB BCR
COMe MOL000093
Kegg C02094
LIPID MAPS LMPR01070001
PubChem ID 10336231
PubChem ID 5178
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