(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-N-(7-acetamidoheptyl)-5a,5b,8,8,11a-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide

Systemtic Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-N-(7-acetamidoheptyl)-5a,5b,8,8,11a-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide Openeye Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-N-(7-acetamidoheptyl)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide CAS Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-N-(7-acetamidoheptyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-N-(7-acetamidoheptyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide Traditional Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-N-(7-acetamidoheptyl)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide Formula: C39H66N2O3 MolecularWeight: 610.95294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCNC(=O)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]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCNC(=O)C

InChI

InChI=1S/C39H66N2O3/c1-26(2)28-16-21-39(34(44)41-25-13-11-9-10-12-24-40-27(3)42)23-22-37(7)29(33(28)39)14-15-31-36(6)19-18-32(43)35(4,5)30(36)17-20-38(31,37)8/h28-33,43H,1,9-25H2,2-8H3,(H,40,42)(H,41,44)/t28-,29+,30-,31+,32-,33+,36-,37+,38+,39-/m0/s1