(3beta,5beta,14beta,17beta)-14-amino-3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-Androstane-17-carboxylic acid methyl ester
[CAS# 118549-42-1]

Identification

• Name: (3beta,5beta,14beta,17beta)-14-amino-3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-Androstane-17-carboxylic acid methyl ester
• Synonyms: Methyl (3S,5R,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; (3S,5R,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; (3S,5R,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
• Molecular Formula: C₂₇H₄₅NO₇
• Molecular Weight: 495.66
• CAS Registry Number: 118549-42-1
• SMILES: [C@H]23[C@]1(N)[C@@]([C@H](CC1)C(OC)=O)(CC[C@@H]2[C@@]5([C@H](CC3)C[C@@H](O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)CC5)C)C
• InChI: 1S/C27H45NO7/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/t14-,15+,16-,17-,18+,19+,20-,21+,22+,24-,25-,26+,27-/m0/s1
• InChIKey: HKWLCBGLVAWZRK-CBYCSKBWSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 603.199°C at 760 mmHg (Cal.)
• Flash point: 318.604°C (Cal.)