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Name	Deacetyllyoniatoxin	EINECS	N/A
CAS No.	28894-74-8	Density	1.4g/cm³
PSA	113.68000	LogP	0.18470
Solubility	N/A	Melting Point	N/A
Formula	C20H32 O6	Boiling Point	535.8°C at 760 mmHg
Molecular Weight	368.47	Flash Point	277.8°C
Transport Information	N/A	Appearance	N/A
Safety	A poison by intraperitoneal and intravenous routes. When heated to decomposition it emits acrid smoke and irritating vapors.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	A poison.
Synonyms	LyoniolB (6CI); 5,7a-Methano-7aH-cyclohept[6,7]azuleno[1,2-b]oxirene,grayanotoxane-5,6,7,10,16-pentol deriv.; Deacetyllyoniatoxin; Deacetyllyoniol A

Deacetyllyoniatoxin Chemical Properties

Product Name: Deacetyllyoniatoxin (CAS NO.28894-74-8)

Molecular Formula: C₂₀H₃₂O₆
Molecular Weight: 368.52g/mol
Mol File: 28894-74-8.mol
Boiling point: 535.8 °C at 760 mmHg
Flash Point: 277.8 °C
Density: 1.4 g/cm³
Surface Tension: 68.5 dyne/cm
Enthalpy of Vaporization: 93.43 kJ/mol
Vapour Pressure: 1.03E-13 mmHg at 25°C
XLogP3-AA: -0.3
H-Bond Donor: 5
H-Bond Acceptor: 6
Structure Descriptors of Deacetyllyoniatoxin (CAS NO.28894-74-8):
Canonical SMILES: CC1(C2C(O2)C3C1(C(C(C45CC(CCC4C3(C)O)C(C5)(C)O)O)O)O)C
Isomeric 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]([C@H]3O)O)O)(C)C)(C)O)O
InChI: InChI=1S/C20H32O6/c1-16(2)15-11(26-15)12-18(4,24)10-6-5-9-7-19(10,8-17(9,3)23)13(21)14(22)20(12,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10-,11-,12-,13+,14+,15-,17+,18+,19?,20-/m0/s1
InChIKey: PEPXNJLMNKYXFN-SUYOHCKESA-N

Deacetyllyoniatoxin Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	intravenous	90ug/kg (0.09mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Archives of Toxicology. Vol. 44, Pg. 259, 1980.
mouse	LD50	intraperitoneal	800ug/kg (0.8mg/kg)	CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 884, 1974.
mouse	LD50	unreported	1100ug/kg (1.1mg/kg)		Chemical and Pharmaceutical Bulletin. Vol. 9, Pg. 171, 1961.

Deacetyllyoniatoxin Safety Profile

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

Deacetyllyoniatoxin Specification

Deacetyllyoniatoxin ,its CAS NO. is 28894-74-8,the synonyms is Lyoniol B ; 7,9a-alpha-Methano-9aH-cyclopenta(b)heptalene-4,8,10,11,11a-beta,(1H)-pentol, 2-beta,3-beta-epoxy-2,3,3a-beta,4,4a-beta,5,6,7-beta,8,9,10-beta,11-alpha-dodecahydro-1,1,4-beta,8-beta-tetramethyl- ; Grayanotoxane-5,6,7,10,16-pentol, 2,3-epoxy-, (2-beta,3-beta,6-beta,7-alpha)- (9CI) .

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