Products 4720-09-6

CAS 4720-09-6 is the registry number for Grayanotoxin I. Offered by: Chemat Brand. Available pack sizes: on request.

Grayanotoxin I
Chemat Brand
  • size: on request
  • Variants: 1
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Grayanotoxin I is a tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. It has a role as a metabolite, an antihypertensive agent, a phytotoxin and a neuromuscular agent. It is a tertiary alcohol, a secondary alcohol, a pentol, an acetate ester and a tetracyclic diterpenoid. It derives from a hydride of a grayanotoxane.

Source: ChEBI

Identity
Molecular formulaC22H36O7
Molecular weight412.5 g/mol
IUPAC name[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
InChIKeyNXCYBYJXCJWMRY-VGBBEZPXSA-N
SMILESCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H]([C@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O

Computed by PubChem (NCBI)

Synonyms: GRAYANOTOXIN I, Andromedotoxin, Rhodotoxin, Acetylandromedol, Asebotoxin, GTX-I, Grayanotoxane-3,5,6,10,14,16-hexol 14-acetate, (14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate, Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R)-, G-I