4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxidanylidene-3a-(piperidin-4-ylcarbonylamino)-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid hydrochloride

Systemtic Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxidanylidene-3a-(piperidin-4-ylcarbonylamino)-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid hydrochloride Openeye Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3a-(piperidine-4-carbonylamino)-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid hydrochloride CAS Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxo-3a-[[oxo(4-piperidinyl)methyl]amino]-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid hydrochloride IUPAC Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxo-3a-(piperidine-4-carbonylamino)-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid hydrochloride Traditional Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-(isonipecotoylamino)-1-isopropyl-2-keto-5a,5b,8,8,11a-pentamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-4-keto-2,2-dimethyl-butyric acid hydrochloride Formula: C41H65ClN2O6 MolecularWeight: 717.4176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)NC(=O)C6CCNCC6)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C.Cl

Isomeric SMILES

CC(C)C1=C2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1=O)NC(=O)C6CCNCC6)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C.Cl

InChI

InChI=1S/C41H64N2O6.ClH/c1-24(2)32-27(44)22-41(43-34(46)25-14-20-42-21-15-25)19-18-39(8)26(33(32)41)10-11-29-38(7)16-13-30(49-31(45)23-36(3,4)35(47)48)37(5,6)28(38)12-17-40(29,39)9;/h24-26,28-30,42H,10-23H2,1-9H3,(H,43,46)(H,47,48);1H/t26-,28+,29-,30+,38+,39-,40-,41-;/m1./s1