Methyl (3S,8R,9S,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
[CAS# 144979-06-6]

Identification

• Name: Methyl (3S,8R,9S,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
• Synonyms: Methyl (3S,8R,9S,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; (3S,8R,9S,10S,13R,14S,17S)-14-Amino-10,13-Dimethyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-17-Carboxylic Acid Methyl Ester Hydrochloride; (3S,8R,9S,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
• Molecular Formula: C₂₇H₄₆ClNO₇
• Molecular Weight: 532.12
• CAS Registry Number: 144979-06-6
• SMILES: [C@@]45(N)[C@H]1[C@@H]([C@@]3(C(CC1)C[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)CC3)C)CC[C@@]4([C@H](CC5)C(OC)=O)C.[H+].[Cl-]
• 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
• InChIKey: XIKOUXLAXLNRBF-TZSNKFELSA-N

Properties

• Boiling point: 603.2°C at 760 mmHg (Cal.)
• Flash point: 318.6°C (Cal.)