(2S,3S,4R,5R,6R,7S)-1-Amino-7-[(3S,3As,5Ar,5Br,7As,9S,11As,11Br,13Ar,13Bs)-5A,5B,8,8,9,11A,13B-Heptamethylicosahydro-1H-Cyclopenta[A]Chrysen-3-Yl]-2,3,4,5,6-Octanepentol

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Formula C36H65NO5
IUPAC Name 2-[(3r,3as,5ar,5br,7as,9s,11as,11br,13ar,13bs)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]ethanol; ammonia; tetrahydrate
Molecular Mass 591.905 g·mol−1
Heat of Formation -1397.6 ± 16.7 kJ·mol−1
Dipole Moment 0.66 ± 1.08 D
Volume 757.21 Å 3
Surface Area 556.2 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 35-amino-3-methylbacteriohopane-30,31,32,33,34-pentol
  • ambhp
  • octitol, 1-amino-1,7,8-trideoxy-7-((3beta)-3-methyl-a'-neo-22,29,30-trinorgammaceran-21-yl)-
CAS Number(s)
  • 99541-80-7
InChIKey NYINOFIIAOPILH-DFPHJZBSSA-N
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