methyl (15S,17S,19S)-15-ethyl-17-hydroxy-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate

Base Information

• Chemical Name: methyl (15S,17S,19S)-15-ethyl-17-hydroxy-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate
• CAS No.: 4752-37-8
• Molecular Formula: C22H28 N2 O4
• Molecular Weight: 384.46872
• DSSTox Substance ID: DTXSID901099186
• Nikkaji Number: J143.554J
• Wikidata: Q104252001
• Mol file: 4752-37-8.mol

Synonyms:Vincine;4752-37-8;DTXSID901099186;NS00094553;1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylic acid, 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-9-methoxy-, methyl ester, (12S,13aS,13bS)-

Chemical Property of methyl (15S,17S,19S)-15-ethyl-17-hydroxy-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate

Chemical Property:

• PSA: 63.93000
• LogP: 2.89900
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 384.20490738
• Heavy Atom Count: 28
• Complexity: 644

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CCCN3C1C4=C(CC3)C5=C(N4C(C2)(C(=O)OC)O)C=C(C=C5)OC
• Isomeric SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=C(N4[C@](C2)(C(=O)OC)O)C=C(C=C5)OC
• Description: One of a number of alkaloids isolated from Vinca erecta RgL et Schmalh, this base crystallizes as colourless needles from MeOH. It has a specific rotation of [α]D + 36° (pyridine).