CAS 473-98-3 appears in our catalog under these names: Betulin, 98%, 98%, Betulin 98%, Betulin, >95% (HPLC), Betulin, Betulinol, >97.0%(GC). Offered by: Chemat, Ambeed, TRC, GLPBio, Biosynth. Available pack sizes: 1g, 5g, 10g, 25g, 50g, 100g, 250g, 500g.
Betulin is a pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. It has a role as an antiviral agent, a metabolite, an analgesic, an antineoplastic agent and an anti-inflammatory agent. It is a diol and a pentacyclic triterpenoid. It derives from a hydride of a lupane.
Source: ChEBI
| Molecular formula | C30H50O2 |
|---|---|
| Molecular weight | 442.7 g/mol |
| IUPAC name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol |
| InChIKey | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| SMILES | CC(=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)CO |
Computed by PubChem (NCBI)