ethyl (2E)-2-[[(1S,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]methylidene]butanoate

Systemtic Name: ethyl (2E)-2-[[(1S,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]methylidene]butanoate Openeye Name: ethyl (2E)-2-[[(1S,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]methylene]butanoate CAS Name: (2E)-2-[[(1S,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]methylidene]butanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[[(1S,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]methylidene]butanoate Traditional Name: (E)-3-[(1S,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-2-ethyl-acrylic acid ethyl ester Formula: C26H42O2 MolecularWeight: 386.61048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1C(=CCC2C1(CCC3C2(CCCC3(C)C)C)C)C)C(=O)OCC

Isomeric SMILES

CC/C(=C\[C@H]1C(=CC[C@H]2[C@]1(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C)C)/C(=O)OCC

InChI

InChI=1S/C26H42O2/c1-8-19(23(27)28-9-2)17-20-18(3)11-12-22-25(20,6)16-13-21-24(4,5)14-10-15-26(21,22)7/h11,17,20-22H,8-10,12-16H2,1-7H3/b19-17+/t20-,21-,22-,25-,26-/m0/s1