[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate

Base Information

• Chemical Name: [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
• CAS No.: 143-57-7
• Molecular Formula: C41H63 N O14
• Molecular Weight: 793.95
• European Community (EC) Number: 205-602-9
• Mol file: 143-57-7.mol

Synonyms:143-57-7;1,3-BENZENEDISULFONYLCHLORIDE

Chemical Property of [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate

Chemical Property:

• Vapor Pressure: 2.04E-30mmHg at 25°C
• Melting Point: 267-269°C
• Refractive Index: 1.594
• Boiling Point: 810.6 °C at 760 mmHg
• Flash Point: 444 °C
• PSA: 218.82000
• Density: 1.36 g/cm³
• LogP: 1.54510
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 793.42485568
• Heavy Atom Count: 56
• Complexity: 1630

Purity/Quality:

Protoveratrine A ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O
• Isomeric SMILES: CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H]([C@@H]([C@H]6[C@]7([C@]5(C4)OC6([C@H](CC7)OC(=O)[C@](C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O
• Description: A further alkaloid isolated from Veratrum album, this base yields colourless crystals from EtOH. It is laevorotatory with [α]27D - 44.1° (pyridine) or - 12.1° (CHC13). Like the preceding base, it dissolves in H2S04 to give a blue colour. The complex with maleic acid has been prepared as colourless crystals, m.p. 241.5°C; [α]20D - 37.6°. On alkaline hydrolysis, the alkaloid furnishes protoverine, two moles of acetic acid, one mole of (-)-methylbutyric acid and one mole of (+)-2-hydroxy-2-methylbutyric acid.