2830-48-0 Purity
95%+
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The molecular formula of 4-Androsten-3-one is C19H28O.
The molecular weight of 4-Androsten-3-one is 272.4 g/mol.
The IUPAC name of 4-Androsten-3-one is (8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
The InChI of 4-Androsten-3-one is InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1.
The InChIKey of 4-Androsten-3-one is MSEZLHAVPJYYIQ-VMXHOPILSA-N.
The canonical SMILES of 4-Androsten-3-one is CC12CCCC1C3CCC4=CC(=O)CCC4(C3CC2)C.
The isomeric SMILES of 4-Androsten-3-one is C[C@@]12CCC[C@H]1[C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC2)C.
The CAS number of 4-Androsten-3-one is 2872-90-4.
The hydrogen bond donor count of 4-Androsten-3-one is 0.
Yes, 4-Androsten-3-one is a canonicalized compound.