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

Systemtic Name: (1R,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR)-N-(7-acetamidoheptyl)-5a,5b,11a-trimethyl-9-oxidanyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a-carboxamide Openeye Name: (1R,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR)-N-(7-acetamidoheptyl)-9-hydroxy-1-isopropenyl-5a,5b,11a-trimethyl-2,3,4,5,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a-carboxamide CAS Name: (1R,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR)-N-(7-acetamidoheptyl)-9-hydroxy-5a,5b,11a-trimethyl-1-(1-methylethenyl)-2,3,4,5,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a-carboxamide IUPAC Name: (1R,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR)-N-(7-acetamidoheptyl)-9-hydroxy-5a,5b,11a-trimethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a-carboxamide Traditional Name: (1R,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR)-N-(7-acetamidoheptyl)-9-hydroxy-1-isopropenyl-5a,5b,11a-trimethyl-2,3,4,5,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a-carboxamide Formula: C37H62N2O3 MolecularWeight: 582.89978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(CC5CCC4(C3(CC2)C)C)O)C)C(=O)NCCCCCCCNC(=O)C

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2(C1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C[C@@H]5CC[C@]4([C@@]3(CC2)C)C)O)C)C(=O)NCCCCCCCNC(=O)C

InChI

InChI=1S/C37H62N2O3/c1-25(2)29-16-19-37(33(42)39-23-11-9-7-8-10-22-38-26(3)40)21-20-35(5)30(32(29)37)12-13-31-34(4)17-15-28(41)24-27(34)14-18-36(31,35)6/h27-32,41H,1,7-24H2,2-6H3,(H,38,40)(H,39,42)/t27-,28-,29-,30+,31+,32?,34-,35+,36+,37-/m0/s1