197721-70-3 Purity
95%
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PubChem CID 44421394
The molecular formula is C31H50O3.
The molecular weight is 470.7 g/mol.
The IUPAC name is methyl (1S,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate.
The InChI key is DFCFXNDZRVOAHX-DSBZJMBESA-N.
The canonical SMILES is CC(C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)OC.
The ChEMBL ID is CHEMBL387150.
The XLogP3-AA value is 8.3.
It has 0 hydrogen bond donor counts.
There are 34 heavy atoms in methyl dihydrobetulonate.