(4a-methyl-7-oxidanyl-2,3,4,5,6,11,12,12a-octahydro-1H-chrysen-2-yl) ethanoate

Systemtic Name: (4a-methyl-7-oxidanyl-2,3,4,5,6,11,12,12a-octahydro-1H-chrysen-2-yl) ethanoate Openeye Name: (7-hydroxy-4a-methyl-2,3,4,5,6,11,12,12a-octahydro-1H-chrysen-2-yl) acetate CAS Name: acetic acid (7-hydroxy-4a-methyl-2,3,4,5,6,11,12,12a-octahydro-1H-chrysen-2-yl) ester IUPAC Name: (7-hydroxy-4a-methyl-2,3,4,5,6,11,12,12a-octahydro-1H-chrysen-2-yl) acetate Traditional Name: acetic acid (7-hydroxy-4a-methyl-2,3,4,5,6,11,12,12a-octahydro-1H-chrysen-2-yl) ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1)CCC3=C2CCC4=C3C=CC=C4O)C

Isomeric SMILES

CC(=O)OC1CCC2(C(C1)CCC3=C2CCC4=C3C=CC=C4O)C

InChI

InChI=1S/C21H26O3/c1-13(22)24-15-10-11-21(2)14(12-15)6-7-17-16-4-3-5-20(23)18(16)8-9-19(17)21/h3-5,14-15,23H,6-12H2,1-2H3