[(1R,3aR,5aS,9S,11aR)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] ethanoate

Systemtic Name: [(1R,3aR,5aS,9S,11aR)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] ethanoate Openeye Name: [(1R,3aR,5aS,9S,11aR)-1-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate CAS Name: acetic acid [(1R,3aR,5aS,9S,11aR)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] ester IUPAC Name: [(1R,3aR,5aS,9S,11aR)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate Traditional Name: acetic acid [(1R,3aR,5aS,9S,11aR)-1-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] ester Formula: C32H52O2 MolecularWeight: 468.75408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC2(C1C3(CCC4C(=CCC5C4(CCC(C5(C)C)OC(=O)C)C)C3(CC2)C)C)C

Isomeric SMILES

CC(C)[C@H]1CC[C@]2(C1C3(CCC4C(=CCC5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)[C@]3(CC2)C)C)C

InChI

InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-21(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(22)29/h10,20,22-23,25-27H,11-19H2,1-9H3/t22-,23?,25?,26+,27?,29-,30-,31-,32?/m1/s1