Cas no 5516-88-1 (6-methyl-8,9-didehydro-ergoline-8-carboxylic acid)
5516-88-1 structure
Product Name:6-methyl-8,9-didehydro-ergoline-8-carboxylic acid
CAS No:5516-88-1
MF:C16H16N2O2
MW:268.310443878174
CID:2021080
PubChem ID:21692
Update Time:2025-04-21
6-methyl-8,9-didehydro-ergoline-8-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-methyl-8,9-didehydro-ergoline-8-carboxylic acid
- 6-Methyl-Delta8,9-ergolen-8-carbonsaeure
- Delta8,9-Lysergsaeure
- Lysergsaeure
- (6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
- Paspalic acid
- 6-METHYLERGOL-8-ENE-8-CARBOXYLIC ACID
- UNII-P81DUK4Q2L
- 5516-88-1
- SCHEMBL12541920
- DTXSID20203672
- 6-Methyl-delta 8,9-ergoline-8-carboxylic acid
- RJNCJTROKRDRBW-TZMCWYRMSA-N
- Ergoline-8-carboxylic acid, 8,9-didehydro-6-methyl-
- 6-METHYL-ERGOL-8,9-ENE-8-CARBOXYLIC ACID
- AKOS040753434
- P81DUK4Q2L
- NS00033256
- .DELTA.8-LYSERGIC ACID
- DTXCID50126163
- C22432
- 611-233-8
- FP177328
- DELTA8-LYSERGIC ACID
-
- Inchi： 1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,12,14,17H,6,8H2,1H3,(H,19,20)/t12-,14-/m1/s1
- InChI Key： RJNCJTROKRDRBW-TZMCWYRMSA-N
- SMILES： OC(C1CN(C)[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2C=1)=O
Computed Properties
- Exact Mass: 268.121177757g/mol
- Monoisotopic Mass: 268.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 461
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 56.3?2
6-methyl-8,9-didehydro-ergoline-8-carboxylic acid Security Information
- Signal Word：Warning
- Storage Condition：Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
6-methyl-8,9-didehydro-ergoline-8-carboxylic acid Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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