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Chemical structure of α-Amyrin palmitate

GC63268

α-Amyrin palmitate

Also known as [(3S,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate

α-Amyrin palmitate is isolated from Santalum album (sandalwood)

ChemicalCAS22255-10-3MW665.13FormulaC46H80O2
CAS number
22255-10-3
Molecular weight
665.13
Formula
C46H80O2
InChIKey
BHPGRVQWTLDDQX-MYFXNNOVSA-N
Catalogue number
GC63268
Brand
GLPBIO
Computed properties PubChem CID 185477 · XLogP 16.9 · TPSA 26.3 Ų · H-bond donors 0
XLogP
16.9
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
16
Heavy atoms
48

SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC=C4[C@H]5[C@H]([C@@H](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)C)C)C

Computed descriptors from PubChem (CID 185477), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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