Basic information
- CAS
120202-64-4- Standard SMILES
CCC12CCc3[nH]c4ccccc4c3CCN(CC3OC31)C2- InChIKey
OGDFTQDRHAGLTB-UHFFFAOYSA-N- Molecular formula
- C19H24N2O
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.18886339
Overview
Ervayunine has been reported in Voacanga africana with data available.
Names & identifiers
- Preferred name
- Ervayunine
- IUPAC
- 15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene
- English name
- ervayunine
- Molecular formula
- C19H24N2O
- Molecular weight
- 296.41
Names & synonyms
Ervayunine120202-64-415-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene2H-3,13-Methanooxireno(9,10)azacycloundecino(5,4-b)indole, 13-ethyl-1a,4,5,10,11,12,13,13a-octahydro-, (1aS-(1aR*,13S*,13aS*))-15-ethyl-17-oxa-1,11-diazapentacyclo(13.4.1.04,12.05,10.016,18)icosa-4(12),5,7,9-tetraeneRefChem:137675(-)-ErvayunineDTXSID2092326713-ethyl-1a,4,5,10,11,12,13,13a-octahydro-2H-3,13-methanooxireno[9,10]azacycloundecino[5,4-b]indole2H-3,13-Methanooxireno(9,10)azacycloundecino(5,4-b)indole, 13-ethyl-1a,4,5,10,11,12,13,13a-octahydro-, (1aS,13R,13aR)-ent-6α,7α-epoxy-2,12-didehydro-12,19-seco-aspidospermidine1aH-3,13-Methanooxireno[9,10]azacycloundecino[5,4-b]indole, 13-ethyl-2,4,5,10,11,12,13,13a-octahydro-, (1aS,3S,13R,13aR)-
Database identifiers
- CAS
120202-64-4- PubChem CID
- 149353
- DTXSID
DTXSID20923267
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 460.881 · 460.881±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.23 · 1.230±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 17.774 · 17.774±0.40(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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