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

Systemtic Name: [(3S,5R,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-5-oxidanyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate Openeye Name: [(3S,5R,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate CAS Name: acetic acid [(3S,5R,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] ester IUPAC Name: [(3S,5R,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate Traditional Name: acetic acid [(3S,5R,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] ester Formula: C32H52O3 MolecularWeight: 484.75348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C3CCC4C5(CCC(C(C5C(CC4(C3(CCC2(CC=C1C)C)C)C)O)(C)C)OC(=O)C)C

Isomeric SMILES

C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C(C5[C@@H](C[C@]4([C@@]3(CC[C@]2(CC=C1C)C)C)C)O)(C)C)OC(=O)C)C

InChI

InChI=1S/C32H52O3/c1-19-12-14-29(6)16-17-31(8)22(26(29)20(19)2)10-11-24-30(7)15-13-25(35-21(3)33)28(4,5)27(30)23(34)18-32(24,31)9/h12,20,22-27,34H,10-11,13-18H2,1-9H3/t20-,22-,23-,24-,25+,26-,27?,29-,30-,31-,32-/m1/s1