Andromedol

(1R,3S,4S,6R,8R,9S,10S,13S,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol

Also Known As: Andromedol|grayanotoxin III|Deacylasebotoxin I|tetramethyl[?]hexol|Deacetylandromedotoxin|KST-1A5068|(1|A,3|A,5|A,6|A,8|A,9|A,10|A,13|A,14s)-grayanotoxane-3,5,6,10,14,16-hexol|(3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol|Grayanotoxane-3,5,6,10,14,16-hexol, (3beta,6beta,14R)-|Grayanotoxane-3,5,6,10,14,16-hexol, (3-beta,6-beta,14R)-|Grayanotoxane-3,5,6,10,14,16-hexol, (1b,3a,5a,6a,8b,9a,10a,13b,16a)-|(1R,3S,4S,6R,8R,9S,10S,13S,14R,16S)-5,5,9,14-tetramethyltetracyclo(11.2.1.01,10.04,8)hexadecane-3,4,6,9,14,16-hexol|7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-

Molecular Formula	C20H34O6
Molecular Weight	370.23553 g/mol
LogP	0.17
Topological Polar Surface Area	121.38 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	6
Rotatable Bonds	0
Exact Mass	370.23553
Heavy Atoms	26
Complexity	615.4

Chemical Identifiers

CAS Number	49784-54-5
SMILES	C[C@]1(C[C@]23C[C@@H]([C@@]4([C@H](C[C@H](C4(C)C)O)[C@@]([C@H]2CC[C@H]1[C@@H]3O)(C)O)O)O)O