[(1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-6-acetyloxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] ethanoate

Systemtic Name: [(1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-6-acetyloxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] ethanoate Openeye Name: [(1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-6-acetoxy-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate CAS Name: acetic acid [(1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-6-acetyloxy-3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] ester IUPAC Name: [(1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-6-acetyloxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate Traditional Name: acetic acid [(1R,3aR,5aR,5bR,6S,7aR,9S,11aS,11bR,13aR,13bR)-6-acetoxy-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] ester Formula: C34H54O4 MolecularWeight: 526.79016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CC(C4(C3(CC2)C)C)OC(=O)C)(C)C)OC(=O)C)C)C

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5C[C@@H]([C@]4([C@@]3(CC2)C)C)OC(=O)C)(C)C)OC(=O)C)C)C

InChI

InChI=1S/C34H54O4/c1-20(2)23-13-15-31(7)17-18-33(9)24(29(23)31)11-12-25-32(8)16-14-27(37-21(3)35)30(5,6)26(32)19-28(34(25,33)10)38-22(4)36/h23-29H,1,11-19H2,2-10H3/t23-,24+,25+,26-,27-,28-,29+,31+,32+,33+,34-/m0/s1