1-[(2R,4aR,4bS,8aS,10aR)-2,4b,7,10a-tetramethyl-1-oxidanylidene-4a,5,6,8a,9,10-hexahydrophenanthren-2-yl]ethyl ethanoate

Systemtic Name: 1-[(2R,4aR,4bS,8aS,10aR)-2,4b,7,10a-tetramethyl-1-oxidanylidene-4a,5,6,8a,9,10-hexahydrophenanthren-2-yl]ethyl ethanoate Openeye Name: 1-[(2R,4aR,4bS,8aS,10aR)-2,4b,7,10a-tetramethyl-1-oxo-4a,5,6,8a,9,10-hexahydrophenanthren-2-yl]ethyl acetate CAS Name: acetic acid 1-[(2R,4aR,4bS,8aS,10aR)-2,4b,7,10a-tetramethyl-1-oxo-4a,5,6,8a,9,10-hexahydrophenanthren-2-yl]ethyl ester IUPAC Name: 1-[(2R,4aR,4bS,8aS,10aR)-2,4b,7,10a-tetramethyl-1-oxo-4a,5,6,8a,9,10-hexahydrophenanthren-2-yl]ethyl acetate Traditional Name: acetic acid 1-[(2R,4aR,4bS,8aS,10aR)-1-keto-2,4b,7,10a-tetramethyl-4a,5,6,8a,9,10-hexahydrophenanthren-2-yl]ethyl ester Formula: C22H32O3 MolecularWeight: 344.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2CCC3(C(C2(CC1)C)C=CC(C3=O)(C)C(C)OC(=O)C)C

Isomeric SMILES

CC1=C[C@@H]2CC[C@@]3([C@@H]([C@]2(CC1)C)C=C[C@](C3=O)(C)C(C)OC(=O)C)C

InChI

InChI=1S/C22H32O3/c1-14-7-10-21(5)17(13-14)8-11-22(6)18(21)9-12-20(4,19(22)24)15(2)25-16(3)23/h9,12-13,15,17-18H,7-8,10-11H2,1-6H3/t15?,17-,18+,20+,21-,22+/m0/s1