| SpectraBase Compound ID | BZEmmIRh33a |
|---|---|
| InChI | InChI=1S/C44H56N4O6/c1-27(22-39(49)47-36(40(50)53-5)23-29-25-45-34-14-9-7-12-31(29)34)16-18-33-28(2)17-19-38-43(33,3)20-11-21-44(38,4)42(52)48-37(41(51)54-6)24-30-26-46-35-15-10-8-13-32(30)35/h7-10,12-15,25-27,36-38,45-46H,11,16-24H2,1-6H3,(H,47,49)(H,48,52)/t27-,36+,37+,38-,43-,44+/m1/s1 |
| InChIKey | KNAJIFWHGHGALH-GQSQYIEKSA-N |
| Mol Weight | 737.0 g/mol |
| Molecular Formula | C44H56N4O6 |
| Exact Mass | 736.419986 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 | 8iCtluOKzwu |
|---|---|
| Name | LABD-8(9)-EN-15,19-DIOIC-ACID-15,19-DITRYPTOPHANYL-METHYLESTER-AMIDE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H56N4O6 |
| InChI | InChI=1S/C44H56N4O6/c1-27(22-39(49)47-36(40(50)53-5)23-29-25-45-34-14-9-7-12-31(29)34)16-18-33-28(2)17-19-38-43(33,3)20-11-21-44(38,4)42(52)48-37(41(51)54-6)24-30-26-46-35-15-10-8-13-32(30)35/h7-10,12-15,25-27,36-38,45-46H,11,16-24H2,1-6H3,(H,47,49)(H,48,52)/t27-,36+,37+,38-,43-,44+/m1/s1 |
| InChIKey | KNAJIFWHGHGALH-GQSQYIEKSA-N |
| Literature Reference Author | G.SCHMEDA-HIRSCHMANN,M.W.PERTINO,J.A.RODRIGUEZ,F.MONSALVE,D. DROGUETT,C.THEODULOZ |
| Literature Reference Citation | MOLECULES,15,7378(2010) |
| Literature Reference DOI | 10.3390/molecules15107378 |
| Molecular Weight | 736.952 g/mol |
| Sample ID | 72519 |
| Solvent | CDCl3 |