Pseudojervine

Base Information

• Chemical Name: Pseudojervine
• CAS No.: 36069-05-3
• Molecular Formula: C33H49 N O8
• Molecular Weight: 587.749
• UNII: 6ZVR3FG6VQ
• ChEMBL ID: CHEMBL2296489
• Nikkaji Number: J18.435G
• Mol file: 36069-05-3.mol

Synonyms:Pseudojervine;36069-05-3;6ZVR3FG6VQ;Pseudojervin;Jervin-3-glucoside;(2'R,3S,3'R,3a'S,6aS,6bS,6'S,7a'R,11aS,11bR)-3',6',10,11b-Tetramethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3,3a',4,4',5',6,6a,6b,6',7,7',7a',8,11a,11b-hexadecahydro-3'H-spiro[benzo[a]fluorene-9,2'-furo[3,2;(3S,3'R,3a'S,6aS,6bS,6'S,7a'R,9R,11aS,11bR)-3',6',10,11b-tetramethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,3a',4,4',5',6,6a,6b,6',7,7',7a',8,11a,11b-hexadecahydro-3'H-spiro[benzo[a]fluorene-9,2'-furo[3,2-b]pyridin]-11(1H)-one;O-beta-D-Glucopyranosyljervine;UNII-6ZVR3FG6VQ;BRN 0072750;JERVINE, 3-beta-(D-GLUCOPYRANOSYLOXY)-;PSEUDOJERVINE [MI];CHEMBL2296489;CHEBI:184091;AKOS030496277;Veratraman-11-one, 17,23-epoxy-3-(beta-D-glucopyranosyloxy)-, (3-beta,23-beta)-;AC-34357;TS-10130;HY-127063;CS-0092570;NS00094303;Q27265794;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]luorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-uro[3,2-b]pyridine]-11-one

Chemical Property of Pseudojervine

Chemical Property:

• Vapor Pressure: 4.19E-27mmHg at 25°C
• Melting Point: 300-301° (dec)
• Refractive Index: 1.5960 (estimate)
• Boiling Point: 766.2°Cat760mmHg
• Flash Point: 417.2°C
• PSA: 137.71000
• Density: 1.32g/cm³
• LogP: 2.33390
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 587.34581752
• Heavy Atom Count: 42
• Complexity: 1170

Purity/Quality:

≥98% ^*data from raw suppliers

PSEUDOJERVINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC7C(C(C(C(O7)CO)O)O)O)C)NC1
• Isomeric SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)NC1
• Description: This alkaloid has been found in both Veratrum album and V. viride Ait. It crystallizes from EtOH in hexagonal tablets and has [α]20D - 139° (CHC13). The hydrochloride dihydrate has m.p. 254-6°C (dry, dec.); the sulphate is also crystalline but the aurichloride is amorphous. Poethke has shown that the alkaloid is a secondary base, gives a nitro so derivative, m.p. 261°C, and contains five replaceable hydrogen atoms. On boiling with dilute HCl it is hydrolyzed to (+)- glucose and isojervine, an isomer of jervine. This latter base crystallizes with solvent, e.g. the CHC13 adduct softens at 135-1500 C; the crystallizate with EtOH has m.p. 114-6°C (dec.) and that with Me2CO has m.p. 110-4°C; [α]20D - 32° (EtOH).