(3β,5β,14β,20R)-14-Amino-20-Hydroxypregnan-3-Yl 6-Deoxy-Alpha-L-Mannopyranoside

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Properties Simple | Detailed

Formula C27H47NO6
IUPAC Name (4z)-10-[2-(4-ethynyl-5-methyl-3-furyl)ethynyl]-9-methylene-6-(6-methylene-3,4,5-trioxo-tetrahydropyran-2-yl)oxy-cyclodeca-1,2,4-trien-7-yne-1-carbonitrile
Molecular Mass 481.665 g·mol−1
Heat of Formation -1405.8 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 604.24 Å 3
Surface Area 444.37 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 4.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r,6s)-2-[[(3s,5r,8r,9s,10s,13r,14s,17s)-14-amino-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-oxane-3,4,5-triol
  • (2r,3r,4r,5r,6s)-2-[[(3s,5r,8r,9s,10s,13r,14s,17s)-14-amino-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol
  • (2r,3r,4r,5r,6s)-2-[[(3s,5r,8r,9s,10s,13r,14s,17s)-14-amino-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyltetrahydropyran-3,4,5-triol
InChIKey RHGPTBMIKFUPQA-YKENCOOKSA-N
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