Betulonic acid (Standard)

cas: 4481-62-3 — see every product listed under this CAS number, including other names

Betulonic acid (Standard) (CAS 4481-62-3) is a chemical reagent available from Chemat. Available pack sizes: 10 mg, 5 mg, 100 mg, 50 mg, 25 mg. Offered by: MedChemExpress.

• 2D
• 3D

Betulonic acid is a triterpenoid. It has a role as an anticoronaviral agent.

Source: ChEBI

Identity

Molecular formula	C30H46O3
Molecular weight	454.7 g/mol
IUPAC name	(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
InChIKey	SLJTWDNVZKIDAU-SVAFSPIFSA-N
SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Betulonic acid, (+)-Betulonic Acid, Lup-20(29)-en-28-oic acid, 3-oxo-, Betulonicacid, Liquidambaric acid, 3-Oxolup-20(29)-en-28-oic acid, Betunolic Acid, 3-Oxo-lup-20(29)-en-28-oic acid; 3-Oxobetulinic acid, Liquidambaric acid?, LIQUIDAMBRONIC ACID

Isomers (same molecular formula)

(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one C₃₀H₄₆O₃

(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid C₃₀H₄₆O₃

[(8S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate C₃₀H₄₆O₃