| SpectraBase Compound ID | KhhinPg66ar |
|---|---|
| InChI | InChI=1S/C45H61N7O8/c1-5-28(4)38-42(57)48-34(25-29-12-7-6-8-13-29)45(60)51-22-10-14-35(51)39(54)46-32(24-27(2)3)43(58)50-21-9-15-36(50)40(55)47-33(26-30-17-19-31(53)20-18-30)44(59)52-23-11-16-37(52)41(56)49-38/h6-8,12-13,17-20,27-28,32-38,53H,5,9-11,14-16,21-26H2,1-4H3,(H,46,54)(H,47,55)(H,48,57)(H,49,56)/t28-,32-,33-,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | AZOCIRVHHHBKAS-KOOVRBLHSA-N |
| Mol Weight | 828.0 g/mol |
| Molecular Formula | C45H61N7O8 |
| Exact Mass | 827.458162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Di1Qxy6NLMA |
|---|---|
| Name | STYLISIN_1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H61N7O8 |
| InChI | InChI=1S/C45H61N7O8/c1-5-28(4)38-42(57)48-34(25-29-12-7-6-8-13-29)45(60)51-22-10-14-35(51)39(54)46-32(24-27(2)3)43(58)50-21-9-15-36(50)40(55)47-33(26-30-17-19-31(53)20-18-30)44(59)52-23-11-16-37(52)41(56)49-38/h6-8,12-13,17-20,27-28,32-38,53H,5,9-11,14-16,21-26H2,1-4H3,(H,46,54)(H,47,55)(H,48,57)(H,49,56)/t28-,32-,33-,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | AZOCIRVHHHBKAS-KOOVRBLHSA-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 | 828.021 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ17622 |