Grayanotoxin II supplier | CasNO.4678-44-8

Name
grayanotoxin II
EINECS
CAS No. 4678-44-8
Article Data5
CAS DataBase
Density 1.3g/cm³
Solubility
Melting Point 199-200°
Formula C₂₀H₃₂O₅
Boiling Point 522.9°Cat760mmHg
Molecular Weight 352.52
Flash Point 237.9°C
Transport Information
Appearance
Safety A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Codes
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;
PSA 101.15000
LogP 0.97350

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

Product Name

grayanotoxin II

Grayanotoxin II Chemical Properties

Grayanotoxin II Toxicity Data With Reference

Grayanotoxin II Safety Profile

Grayanotoxin II Specification

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