| SpectraBase Compound ID | JPbrq7cH8Sr |
|---|---|
| InChI | InChI=1S/C44H57N7O8/c1-3-27(2)37-44(59)50-23-9-14-34(50)39(54)46-32(26-29-17-19-30(52)20-18-29)42(57)51-24-10-16-36(51)43(58)49-22-8-13-33(49)38(53)45-31(25-28-11-5-4-6-12-28)41(56)48-21-7-15-35(48)40(55)47-37/h4-6,11-12,17-20,27,31-37,52H,3,7-10,13-16,21-26H2,1-2H3,(H,45,53)(H,46,54)(H,47,55)/t27-,31+,32+,33+,34+,35+,36+,37+/m1/s1 |
| InChIKey | OKVPFWBESRTMEN-CKPSRFFFSA-N |
| Mol Weight | 812.0 g/mol |
| Molecular Formula | C44H57N7O8 |
| Exact Mass | 811.426862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBIV7KSiv3f |
|---|---|
| Name | STYLISIN_2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H57N7O8 |
| InChI | InChI=1S/C44H57N7O8/c1-3-27(2)37-44(59)50-23-9-14-34(50)39(54)46-32(26-29-17-19-30(52)20-18-29)42(57)51-24-10-16-36(51)43(58)49-22-8-13-33(49)38(53)45-31(25-28-11-5-4-6-12-28)41(56)48-21-7-15-35(48)40(55)47-37/h4-6,11-12,17-20,27,31-37,52H,3,7-10,13-16,21-26H2,1-2H3,(H,45,53)(H,46,54)(H,47,55)/t27-,31+,32+,33+,34+,35+,36+,37+/m1/s1 |
| InChIKey | OKVPFWBESRTMEN-CKPSRFFFSA-N |
| Literature Reference Author | R.MOHAMMED,J.PENG,M.KELLY,M.T.HAMANN |
| Literature Reference Citation | J.NAT.PROD.,69,1739(2006) |
| Literature Reference DOI | 10.1021/np060006n |
| Molecular Weight | 811.979 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ17623 |