| SpectraBase Compound ID | LszsDgDjc3c |
|---|---|
| InChI | InChI=1S/C41H72N2O9/c1-29(42)36(51-41-40(49)39(48)38(47)37(28-44)52-41)23-19-15-10-8-6-4-3-5-7-9-12-16-20-31(50-2)21-17-13-11-14-18-22-33-32-27-35(46)34(45)26-30(32)24-25-43-33/h16,20,26-27,29,31,33,36-41,43-49H,3-15,17-19,21-25,28,42H2,1-2H3/b20-16+/t29-,31?,33?,36-,37+,38-,39-,40+,41+/m0/s1 |
| InChIKey | HIPXPNHGBRGNFB-AOEMTPEVSA-N |
| Mol Weight | 737.0 g/mol |
| Molecular Formula | C41H72N2O9 |
| Exact Mass | 736.523782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8MK9zDgpFpf |
|---|---|
| Name | OCEANALIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H72N2O9 |
| InChI | InChI=1S/C41H72N2O9/c1-29(42)36(51-41-40(49)39(48)38(47)37(28-44)52-41)23-19-15-10-8-6-4-3-5-7-9-12-16-20-31(50-2)21-17-13-11-14-18-22-33-32-27-35(46)34(45)26-30(32)24-25-43-33/h16,20,26-27,29,31,33,36-41,43-49H,3-15,17-19,21-25,28,42H2,1-2H3/b20-16+/t29-,31?,33?,36-,37+,38-,39-,40+,41+/m0/s1 |
| InChIKey | HIPXPNHGBRGNFB-AOEMTPEVSA-N |
| Literature Reference Author | T.N.MAKARIEVA,V.A.DENISENKO,P.S.DMITRENOK,A.G.GUZII,E.A.SANT ALOVA,V.A.STONIK,J.B |
| Literature Reference Citation | ORG.LETTERS,7,2897(2005) |
| Literature Reference DOI | 10.1021/ol050796c |
| Molecular Weight | 737.031 g/mol |
| Sample ID | 43082 |
| Solvent | CD3OD |