| SpectraBase Compound ID | KAYno7GQt5W |
|---|---|
| InChI | InChI=1S/C53H69N7O16/c1-7-29(4)45(66)50(71)54-36(21-23-43(64)65)46(67)57-39-27-76-53(74)44(28(2)3)58-49(70)40(25-31-10-16-34(62)17-11-31)59(5)52(73)41(26-32-12-18-35(75-6)19-13-32)60-42(63)22-20-37(51(60)72)55-47(68)38(56-48(39)69)24-30-8-14-33(61)15-9-30/h8-19,28-29,36-42,44-45,61-63,66H,7,20-27H2,1-6H3,(H,54,71)(H,55,68)(H,56,69)(H,57,67)(H,58,70)(H,64,65)/t29?,36-,37+,38+,39+,40+,41+,42-,44+,45+/m1/s1 |
| InChIKey | KWSWHEKBDZISEM-HYKBAKAHSA-N |
| Mol Weight | 1060.2 g/mol |
| Molecular Formula | C53H69N7O16 |
| Exact Mass | 1059.480079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmigjaYMNcK |
|---|---|
| Name | HOFMANNOLIN;HMV-2-HYDROXY-3-METHYL-VALERIC-ACID-AHP-3-AMINO-6-HYDROXY-2-OXO-1-PIPERIDINE-OMTYR-O-METHYL-TYR-NMTYR-N-METHYL-TYR |
| Compound Number | A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H69N7O16 |
| InChI | InChI=1S/C53H69N7O16/c1-7-29(4)45(66)50(71)54-36(21-23-43(64)65)46(67)57-39-27-76-53(74)44(28(2)3)58-49(70)40(25-31-10-16-34(62)17-11-31)59(5)52(73)41(26-32-12-18-35(75-6)19-13-32)60-42(63)22-20-37(51(60)72)55-47(68)38(56-48(39)69)24-30-8-14-33(61)15-9-30/h8-19,28-29,36-42,44-45,61-63,66H,7,20-27H2,1-6H3,(H,54,71)(H,55,68)(H,56,69)(H,57,67)(H,58,70)(H,64,65)/t29?,36-,37+,38+,39+,40+,41+,42-,44+,45+/m1/s1 |
| InChIKey | KWSWHEKBDZISEM-HYKBAKAHSA-N |
| Literature Reference Author | U.MATERN,L.OBERER,M.ERHARD,M.HERDMAN,J.WECKESSER |
| Literature Reference Citation | PHYTOCHEM.,64,1061(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00467-9 |
| Molecular Weight | 1060.168 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP5681 |