Methyl (3β,5β,14β,17β)-14-Amino-3-[(6-Deoxy-Alpha-L-Mannopyranosyl)Oxy]Androstane-17-Carboxylate

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Properties Simple | Detailed

Formula C27H45NO7
IUPAC Name 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
Molecular Mass 495.649 g·mol−1
Heat of Formation -1544.0 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 607.76 Å 3
Surface Area 458.47 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (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
  • (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
  • androstane-17-carboxylic acid, 14-amino-3-((6-deoxy-alpha-l-mannopyranosyl)oxy)-, methyl ester, (3beta,5beta,14beta,17beta)-
  • lnd 796
  • lnd-796
  • 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-oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate
  • 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
  • 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-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate
CAS Number(s)
  • 118549-42-1
InChIKey HKWLCBGLVAWZRK-CBYCSKBWSA-N
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