[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] N-[6-oxidanylidene-6-(5-oxidanylpentylamino)hexyl]carbamate

Systemtic Name: [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] N-[6-oxidanylidene-6-(5-oxidanylpentylamino)hexyl]carbamate Openeye Name: [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] N-[6-(5-hydroxypentylamino)-6-oxo-hexyl]carbamate CAS Name: N-[6-(5-hydroxypentylamino)-6-oxohexyl]carbamic acid [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: [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] N-[6-(5-hydroxypentylamino)-6-oxohexyl]carbamate Traditional Name: N-[6-(5-hydroxypentylamino)-6-keto-hexyl]carbamic acid [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: C35H56N2O7 MolecularWeight: 616.82834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N2O7/c1-33-15-12-26(44-32(41)37-19-6-3-5-9-30(39)36-18-7-4-8-20-38)22-25(33)10-11-29-28(33)13-16-34(2)27(14-17-35(29,34)42)24-21-31(40)43-23-24/h21,25-29,38,42H,3-20,22-23H2,1-2H3,(H,36,39)(H,37,41)