Rhodotoxine

(3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate

Also Known As: Andromedotoxin|Rhodotoxine|Rhodotoxin|Acetylandromedol|Asebotoxin|Acetyllandromedol|GRAYANOTOXIN I|GRAYANOTOXIN 1|Andromedol, acetate|GTX-I|NCI60_002155|3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl acetate|Grayanotoxane-3,5,6,10,14,16-hexol 14-acetate|3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl acetate #|(3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate|Grayanotoxane-3,6,10,14,16-hexol, 14-acetate, (3.beta.,6.beta.,14R)-|Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3.beta.,6.beta.,14R)-|(3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo(11.2.1.01,10.04,8)hexadecanyl) acetate|7,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-|7,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-|7,9a-Methano-9aH-cyclopenta(b)-heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-|G-I

Molecular Formula	C22H36O7
Molecular Weight	412.2461 g/mol
LogP	0.8
Topological Polar Surface Area	127.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	412.2461
Monoisotopic Mass	412.2461
Heavy Atoms	29
Complexity	724.0

Chemical Identifiers

CAS Number	7333-07-5
SMILES	CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O
InChIKey	NXCYBYJXCJWMRY-UHFFFAOYSA-N