Rauvomitin

Base Information

• Chemical Name: Rauvomitin
• CAS No.: 466-57-9
• Molecular Formula: C30H34N2O5
• Molecular Weight: 502.6

Synonyms:Rauvomitin;466-57-9;Ajmalan-17-ol, 19,20-didehydro-, 3,4,5-trimethoxybenzoate (ester), (17R,19E)-;[(1R,10S,12R,13E,16S,17R)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate;C30H34N2O5;C30-H34-N2-O5

Chemical Property of Rauvomitin

Chemical Property:

• Melting Point: 115-7°C
• PSA: 60.47000
• Density: 1.33g/cm³
• LogP: 4.04960
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 502.24677219
• Heavy Atom Count: 37
• Complexity: 942

Purity/Quality:

99% ^*data from raw suppliers

Rauvomitin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CN2C3CC1C4C2CC5(C3N(C6=CC=CC=C65)C)C4OC(=O)C7=CC(=C(C(=C7)OC)OC)OC
• Isomeric SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1[C@@H]4[C@@H]2C[C@@]5(C3N(C6=CC=CC=C65)C)C4OC(=O)C7=CC(=C(C(=C7)OC)OC)OC
• Description: An alkaloid from Rauwolfia vomitora, the base yields colourless crystals from MeOH and has [α]D - 173.4° ± 1° (c 1.0, CHCl 3). The hydrochloride has m.p. 223° C (dec.). Acid hydrolysis of the base furnishes tetraphyllicine and gallic acid trimethyl ether.

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