Cas no 50838-11-4 (14,15-Didehydroisoeburnamine)
14,15-Didehydroisoeburnamine structure
Product Name:14,15-Didehydroisoeburnamine
CAS No:50838-11-4
MF:C19H22N2O
MW:294.390784740448
CID:837052
PubChem ID:13894854
Update Time:2024-11-02
14,15-Didehydroisoeburnamine Chemical and Physical Properties
Names and Identifiers
-
- 14,15-Didehydroisoeburnamine
- (3α,14β,16α)-17,18-Didehydro-14,15-dihydroeburnamenin-14-ol
- [ "14", "15-Didehydroisovincanol" ]
- 50838-11-4
- AKOS032962285
- FS-9937
- (15R,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaen-17-ol
- (15R,17R,19S)-15-ETHYL-1,11-DIAZAPENTACYCLO[9.6.2.0(2),?.0?,(1)?.0(1)?,(1)?]NONADECA-2,4,6,8(18),13-PENTAEN-17-OL
- 14
-
- Inchi: InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-7,9,16,18,22H,2,8,10-12H2,1H3/t16-,18-,19+/m1/s1
- InChI Key: HQEIVSZGVBPOQZ-QRQLOZEOSA-N
- SMILES: CCC12CC(N3C4=CC=CC=C4C5=C3C1N(CC5)CC=C2)O
Computed Properties
- Exact Mass: 294.173213330g/mol
- Monoisotopic Mass: 294.173213330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 492
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 28.4?2
Experimental Properties
- Color/Form: Powder
14,15-Didehydroisoeburnamine Security Information
- Storage Condition:Store at room temperature, 2-8 ℃ is better
14,15-Didehydroisoeburnamine Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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