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Chemical structure of Betacarotene

GC10582

Betacarotene

Also known as 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

Betacarotene (Provitamin A), a carotenoid compound, is a naturally-occurring vitamin A precursor

ChemicalCAS7235-40-7MW536.87FormulaC40H56
CAS number
7235-40-7
Molecular weight
536.87
Formula
C40H56
Solubility
≥ 9·6mg/mL in Ethanol
InChIKey
OENHQHLEOONYIE-JLTXGRSLSA-N
Catalogue number
GC10582
Brand
GLPBIO
Computed properties PubChem CID 5280489 · XLogP 13.5 · TPSA 0 Ų · H-bond donors 0
XLogP
13.5
TPSA
0 Ų
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
10
Heavy atoms
40

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

Computed descriptors from PubChem (CID 5280489), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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