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Chemical structure of α-Amyrin acetate

GC65446

α-Amyrin acetate

Also known as [(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,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] acetate

α-Amyrin acetate, a natural triterpenoid, has anti-inflammatory activity, antispasmodic profile and the relaxant effect

ChemicalCAS863-76-3MW468.75FormulaC32H52O2
CAS number
863-76-3
Molecular weight
468.75
Formula
C32H52O2
InChIKey
UDXDFWBZZQHDRO-NSTYLNEOSA-N
Catalogue number
GC65446
Brand
GLPBIO
Computed properties PubChem CID 92842 · XLogP 9.6 · TPSA 26.3 Ų · H-bond donors 0
XLogP
9.6
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
34

SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C

Computed descriptors from PubChem (CID 92842), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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