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)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene



Compound number:
MolPort-001-785-959
CAS number: 17161-33-0; 7235-40-7
IUPAC:
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)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene
IUPAC traditional:
β-carotene
SMILES:
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C |c:9,32|
InChI key:
OENHQHLEOONYIE-JLTXGRSLSA-N
Molecular formula:
C40H56
Molecular weight: 536.888
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-001-785-959
CAS number: 17161-33-0; 7235-40-7

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000006845076
MFCD00001556
(1E,3E,5E,7E,9E,11E,13E,15E,17E)-1,18-bis(2,6,6-trimethylcyclohex-1-enyl)-3,7, 12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene
B-carotene
Beta Carotene
beta -carotene
beta,beta-carotene
beta-Carotene
?-Carotene
??-Carotene
Carotene
??,??-Carotene, Provitamin A, Solatene, ??-Carotene
"β,β-Carotene,Provitamin A Provitamin A�β,β-Carotene"
Provitamin ACarotabenbeta-Carotene
trans-beta-Carotene

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+
InChI key: OENHQHLEOONYIE-JLTXGRSLSA-N

Calculated Properties
Molecular formula: C40H56
Molecular weight: 536.888

Other

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