AC1L4LFL

(3S,5R,6R,9S,10S,13R,14R,15S,17R)-17-[(2R)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol

Also Known As: (Z)-(Hex-3-enyloxy)toluene|3,6,8,15-Tetrahydroxycholestan-24-yl pentofuranoside|Cholestane-3,6,8,15-tetrol, 24-(alpha-L-arabinofuranosyloxy)-, (3beta,5alpha,6alpha,15beta)-|(3S,5R,6R,9S,10S,13R,14R,15S,17R)-17-[(2R)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol|(8xi)-3beta,6beta,8,15alpha-Tetrahydroxy-5beta,9beta,14beta-cholestan-24-yl alpha-L-arabinofuranoside

Molecular Formula	C32H56O9
Molecular Weight	584.39246 g/mol
LogP	2.9
Topological Polar Surface Area	160.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	584.39246
Monoisotopic Mass	584.39246
Heavy Atoms	41
Complexity	918.0

Chemical Identifiers

CAS Number	88191-35-9
SMILES	C[C@H](CCC(C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)[C@H]2C[C@@H]([C@H]3[C@@]2(CC[C@@H]4C3(C[C@H]([C@H]5[C@@]4(CC[C@@H](C5)O)C)O)O)C)O
InChIKey	DGWAVEJVKCTDSX-HTFCTJEOSA-N