Deacetyllyoniol A acetonide

(2S,6R,7R,9R,11S,12S,13R,14R,17S,18R)-4,4,8,8,13,18-hexamethyl-3,5,10-trioxahexacyclo[15.2.1.01,14.02,6.07,12.09,11]icosane-7,13,18-triol

Also Known As: Deacetyllyoniol A acetonide|Grayanotoxane-5,6,7,10,16-pentol, 2,3-epoxy-, cyclic 6,7-(1-methylethylidene acetal)|(2S,6R,7R,9R,11S,12S,13R,14R,17S,18R)-4,4,8,8,13,18-hexamethyl-3,5,10-trioxahexacyclo[15.2.1.01,14.02,6.07,12.09,11]icosane-7,13,18-triol|3b-beta,6-Methano-36H-oxireno(3',4')cyclopenta(1',2':3,4)heptaleno(1,2-d)-1,3-dioxole-5,9,11a-alpha(4H)-triol, 3a-alpha,5,6-alpha,7,8,8a-alpha,9,9a-alpha,9b-beta,10a-beta,11,11b-beta-dodecahydro-2,2,5-alpha,9-alpha,11,11-hexamethyl-|(3aS,5R,6S,8aR,9R,9aS,9bS,10aR,11aR,11bR)-2,2,5,9,11,11-Hexamethyldodecahydro-2H-3b,6-methanooxireno[3',4']cyclopenta[1',2':3,4]heptaleno[1,2-d][1,3]dioxole-5,9,11a(4H)-triol|2,6,8,8,10,10-Hexamethyldodecahydro-10H-3,11b-methanooxireno[3',4']cyclopenta[1',2':3,4]heptaleno[1,2-d][1,3]dioxole-2,6,8a(1H)-triol|3b.beta.,6-Methano-3bH-oxireno[3',4']cyclopenta[1',2':3,4]heptaleno[1,2-d]-1,3-dioxole-5,9,11a.alpha.(4H)-triol, 3a.alpha.,5,6.alpha.,7,8,8a.alpha.,9,9a.alpha.,9b.beta.,10a.beta.,11,11b.beta.-dodecahydro-2,2,5.alpha.,9.alpha.,11,11-hexamethyl-|Grayanotoxane-5,6,7,10,16-pentol, 2,3-epoxy-, cyclic 6,7-(1-methylethylidene acetal), (2.beta.,3.beta.,6.beta.,7.alpha.)-

Molecular Formula	C23H36O6
Molecular Weight	408.2512 g/mol
LogP	1.2
Topological Polar Surface Area	91.7 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	0
Exact Mass	408.2512
Monoisotopic Mass	408.2512
Heavy Atoms	29
Complexity	781.0

Chemical Identifiers

CAS Number	28836-76-2
SMILES	C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4[C@H]5[C@H](O5)C([C@]4([C@H]6[C@H]3OC(O6)(C)C)O)(C)C)(C)O)O
InChIKey	HPQFYQHUOHFCQY-UKCOSPBMSA-N