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Name	Grayanotoxin II	EINECS	N/A
CAS No.	4678-44-8	Density	1.3g/cm³
PSA	101.15000	LogP	0.97350
Solubility	N/A	Melting Point	199-200°
Formula	C₂₀H₃₂O₅	Boiling Point	522.9°Cat760mmHg
Molecular Weight	352.52	Flash Point	237.9°C
Transport Information	N/A	Appearance	N/A
Safety	A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	A poison.
Synonyms	7-(prop-2-in-1-yloxy)-1-benzopyran-2-one;Andromedenol;(7-coumaryloxy)methylacetylene;(3aR)-2c.8t.11c.11ac.12anti-Pentahydroxy-1.1.8c-trimethyl-4-methylen-(3arH.4acH)-tetradecahydro-7t.9at-methano-cyclopenta[b]heptalen;Grayanatoxin-II;7-Propargyloxy-cumarin [German];2H-1-Benzopyran-2-one,7-(2-propynyloxy);(7-propargyloxy)coumarin;7-(prop-2-yn-1-yloxy)-2H-chromen-2-one;Grayanotoxin-II;(7R)-1,1,8-Trimethyl-4-methylen-(3ac,4at)-dodecahydro-7r,9ac-methano-cyclopenta[b]heptalen-2t,8c,11t,11at,12anti-pentaol;7-(2-Propynyloxy)-2H-1-benzopyran-2-one;(7R)-1,1,8-trimethyl-4-methylene-(3ac,4at)-dodecahydro-7r,9ac-methano-cyclopenta[b]heptalene-2t,8c,11t,11at,12anti-pentaol;7-Propargyloxy-cumarin;	Article Data	5

Grayanotoxin II Chemical Properties

Product Name: Grayanotoxin II
CAS Registry Number: 4678-44-8
Synonyms: Deacetylanhydroandromedotoxin ; G-II ; Grayanotox-10(20)-ene-3,5,6,14,16-pentol, (3-beta,6-beta,14R)- ; Grayanotoxin II ; delta(sup 10 (18))-Andromedenol ; (3beta,6beta,14R)-Grayanotox-10(20)-ene-3,5,6,14,16-pentol ; 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,8,11,11a,12(1H)-pentol, dodecahydro-1,1,8-trimethyl-4-methylene-, (2S,3as,4as,7R,8R,9as,11R,11aR,12R)-
Molecular Weight: 352.46508 [g/mol]
Molecular Formula: C₂₀H₃₂O₅
XLogP3-AA: 0.3
H-Bond Donor: 5
H-Bond Acceptor: 5
Surface Tension: 61.9 dyne/cm
Density: 1.3 g/cm³
Flash Point: 237.9 °C
Enthalpy of Vaporization: 91.64 kJ/mol
Boiling Point: 522.9 °C at 760 mmHg
Vapour Pressure: 4.07E-13 mmHg at 25°C
Following is the molecular structure of Grayanotoxin II (CAS NO.4678-44-8) is:

Grayanotoxin II Toxicity Data With Reference

ipr-mus LD50:10 mg/kg

CPBTAL Chemical and Pharmaceutical Bulletin. 22 (1974),884.

Grayanotoxin II Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.

Grayanotoxin II Specification

Descriptors computed from structure, you can know some information about Grayanotoxin II (CAS NO.4678-44-8) :
Canonical SMILES: CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2=C)(C)O)O)O)O)C
Isomeric SMILES: C[C@]1(C[C@@]23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)C(=C)[C@@H]2CC[C@@H]1C3O)O)O)O
InChI: InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+,16?,18+,19-,20-/m0/s1
InChIKey: KEOQZUCOGXIEQR-BBLSUVPKSA-N

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