[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-morpholin-4-ylethanoate

Systemtic Name: [(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-morpholin-4-ylethanoate Openeye Name: [(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-morpholinoacetate CAS Name: 2-(4-morpholinyl)acetic acid [(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-morpholin-4-ylacetate Traditional Name: 2-morpholinoacetic acid [(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C29H43NO6 MolecularWeight: 501.65482

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)CN6CCOCC6

Isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)CN6CCOCC6

InChI

InChI=1S/C29H43NO6/c1-27-8-5-21(36-26(32)17-30-11-13-34-14-12-30)16-20(27)3-4-24-23(27)6-9-28(2)22(7-10-29(24,28)33)19-15-25(31)35-18-19/h15,20-24,33H,3-14,16-18H2,1-2H3/t20-,21+,22-,23+,24-,27+,28-,29+/m1/s1