3-[(3S,10S,13R,14S)-3-[(2R,4S,5S,6S)-5-azanyl-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Systemtic Name: 3-[(3S,10S,13R,14S)-3-[(2R,4S,5S,6S)-5-azanyl-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Openeye Name: 3-[(3S,10S,13R,14S)-3-[(2R,4S,5S,6S)-5-amino-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one CAS Name: 3-[(3S,10S,13R,14S)-3-[[(2R,4S,5S,6S)-5-amino-4-methoxy-6-methyl-2-oxanyl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one IUPAC Name: 3-[(3S,10S,13R,14S)-3-[(2R,4S,5S,6S)-5-amino-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Traditional Name: 3-[(3S,10S,13R,14S)-3-[(2R,4S,5S,6S)-5-amino-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Formula: C30H47NO6 MolecularWeight: 517.69728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)N

Isomeric SMILES

C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3(C(C2)CCC4C3CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)C)OC)N

InChI

InChI=1S/C30H47NO6/c1-17-27(31)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(32)35-16-18/h13,17,19-24,26-27,33H,5-12,14-16,31H2,1-4H3/t17-,19?,20-,21?,22?,23?,24-,26-,27-,28-,29+,30-/m0/s1