methyl (3S,10S,13R,14S,17S)-14-azanyl-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate hydrochloride

Systemtic Name: methyl (3S,10S,13R,14S,17S)-14-azanyl-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate hydrochloride Openeye Name: methyl (3S,10S,13R,14S,17S)-14-amino-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate hydrochloride CAS Name: (3S,10S,13R,14S,17S)-14-amino-10,13-dimethyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl (3S,10S,13R,14S,17S)-14-amino-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate hydrochloride Traditional Name: (3S,10S,13R,14S,17S)-14-amino-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester hydrochloride Formula: C27H46ClNO7 MolecularWeight: 532.10964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(=O)OC)N)C)C)O)O)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO7.ClH/c1-14-20(29)21(30)22(31)24(34-14)35-16-7-10-25(2)15(13-16)5-6-18-17(25)8-11-26(3)19(23(32)33-4)9-12-27(18,26)28;/h14-22,24,29-31H,5-13,28H2,1-4H3;1H/t14-,15?,16-,17?,18?,19+,20-,21+,22+,24-,25-,26+,27-;/m0./s1