[(3S,4aR,6aR,6aS,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-6a-oxidanyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate

Systemtic Name: [(3S,4aR,6aR,6aS,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-6a-oxidanyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate Openeye Name: [(3S,4aR,6aR,6aS,6bS,8aR,12aR,14aR,14bR)-6a-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate CAS Name: hexadecanoic acid [(3S,4aR,6aR,6aS,6bS,8aR,12aR,14aR,14bR)-6a-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] ester IUPAC Name: [(3S,4aR,6aR,6aS,6bS,8aR,12aR,14aR,14bR)-6a-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate Traditional Name: palmitic acid [(3S,4aR,6aR,6aS,6bS,8aR,12aR,14aR,14bR)-6a-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] ester Formula: C46H82O3 MolecularWeight: 683.14148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@@H]5CC(CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)(C)C)O)C

InChI

InChI=1S/C46H82O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(47)49-38-26-27-43(7)35(41(38,4)5)24-28-44(8)36(43)25-29-46(48)37-34-40(2,3)30-31-42(37,6)32-33-45(44,46)9/h35-38,48H,10-34H2,1-9H3/t35-,36+,37+,38-,42+,43-,44+,45-,46-/m0/s1