20(S)-protopanaxadiol

(3S,8R,9S,10R,12R,13S,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

Also Known As: 20(S)-protopanaxadiol|(20S)-Protopanaxadiol?|(3beta,5xi,12beta,13alpha,14beta)-lanost-24-ene-3,12,20-triol|(1S,3aR,3bR,7S,9aR,9bS,11R,11aS)-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol|(3S,8R,9S,10R,12R,13S,14R,17S)-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol|(3S,8R,9S,10R,12R,13S,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

Molecular Formula	C30H52O3
Molecular Weight	460.39163 g/mol
LogP	7.2
Topological Polar Surface Area	60.7 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	460.39163
Monoisotopic Mass	460.39163
Heavy Atoms	33
Complexity	783.0

Chemical Identifiers

CAS Number	30636-90-9
SMILES	CC(=CCC[C@@](C)([C@H]1CC[C@]2([C@]1([C@@H](C[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)O)C
InChIKey	SOFRKDBOODGBCL-LNTRKWQZSA-N