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Chemical structure of PHYSALIEN

GC19245

PHYSALIEN

Also known as [(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hexadecanoyloxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl] hexadecanoate

PHYSALIEN (Physalien) is a wolfberry-derived carotenoid, has anti-inflammatory and anti-oxidative stress effects

ChemicalCAS144-67-2MW1045.69FormulaC72H116O4
CAS number
144-67-2
Molecular weight
1045.69
Formula
C72H116O4
Solubility
Ethanol : 1 mg/mL (0·96 mM; Need ultrasonic and warming)
InChIKey
XACHQDDXHDTRLX-XLVVAOPESA-N
Catalogue number
GC19245
Brand
GLPBIO
Computed properties PubChem CID 5281250 · XLogP 26.7 · TPSA 52.6 Ų · H-bond donors 0
XLogP
26.7
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
42
Heavy atoms
76

SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C(=C(C1)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)\C)\C)/C)/C)(C)C

Computed descriptors from PubChem (CID 5281250), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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