Chemical compound
Betulinic Acid
(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
C30H48O3
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)C(=O)O
Properties
- Formula
- C30H48O3
- Molecular weight
- 456.7 g/mol
- PubChem CID
- 64971
- InChIKey
- QGJZLNKBHJESQX-FZFNOLFKSA-N
- XLogP
- 8.2
- TPSA
- 57.5 Ų
- H-bond donors
- 2
- H-bond acceptors
- 3