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

Systemtic Name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ethanoate Openeye Name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetoxy-5a,5b,8,8,11a-pentamethyl-1-[1-(1-piperidylmethyl)vinyl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate CAS Name: acetic acid [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-[3-(1-piperidinyl)prop-1-en-2-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ester IUPAC Name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate Traditional Name: acetic acid [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetoxy-5a,5b,8,8,11a-pentamethyl-1-[1-(piperidinomethyl)vinyl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ester Formula: C39H63NO4 MolecularWeight: 609.92182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCC(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=C)CN6CCCCC6

Isomeric SMILES

CC(=O)OC[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=C)CN6CCCCC6

InChI

InChI=1S/C39H63NO4/c1-26(24-40-22-10-9-11-23-40)29-14-19-39(25-43-27(2)41)21-20-37(7)30(34(29)39)12-13-32-36(6)17-16-33(44-28(3)42)35(4,5)31(36)15-18-38(32,37)8/h29-34H,1,9-25H2,2-8H3/t29-,30+,31-,32+,33-,34+,36-,37+,38+,39+/m0/s1