Products 472-15-1

CAS 472-15-1 appears in our catalog under these names: Betulinic acid, 97%, Betulinic Acid, >95% (HPLC), Betulinic acid/ min. 98%, Betulinic acid, Betulinic acid. Offered by: Combi-blocks, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: 100g, 25g, 5g, 10g, 1g, 100mg, 50mg, 500mg.

Structural formula: {0} (CAS {1})

Betulinic acid is a pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-carboxy substituents. It is found in the bark and other plant parts of several species of plants including Syzygium claviflorum. It exhibits anti-HIV, antimalarial, antineoplastic and anti-inflammatory properties. It has a role as an antineoplastic agent, an antimalarial, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an anti-HIV agent, an anti-inflammatory agent and a plant metabolite. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It derives from a hydride of a lupane.

Source: ChEBI

Identity
Molecular formulaC30H48O3
Molecular weight456.7 g/mol
IUPAC name(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
InChIKeyQGJZLNKBHJESQX-FZFNOLFKSA-N
SMILESCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O

Computed by PubChem (NCBI)