| SpectraBase Compound ID | DohUFy0KUI3 |
|---|---|
| InChI | InChI=1S/C31H45NO8/c1-17(2)6-8-19-12-21(30(37)38-24-14-22-10-11-23(15-24)32(22)5)13-20(9-7-18(3)4)29(19)40-31-28(36)27(35)26(34)25(16-33)39-31/h6-7,12-13,22-28,31,33-36H,8-11,14-16H2,1-5H3/t22-,23+,24-,25-,26-,27+,28-,31+/m0/s1 |
| InChIKey | PTOHHQZBABICAF-HTPJHVAZSA-N |
| Mol Weight | 559.7 g/mol |
| Molecular Formula | C31H45NO8 |
| Exact Mass | 559.314517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHSDjM6xNuD |
|---|---|
| Name | MERRESECTINE_B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H45NO8 |
| InChI | InChI=1S/C31H45NO8/c1-17(2)6-8-19-12-21(30(37)38-24-14-22-10-11-23(15-24)32(22)5)13-20(9-7-18(3)4)29(19)40-31-28(36)27(35)26(34)25(16-33)39-31/h6-7,12-13,22-28,31,33-36H,8-11,14-16H2,1-5H3/t22-,23+,24-,25-,26-,27+,28-,31+/m0/s1 |
| InChIKey | PTOHHQZBABICAF-HTPJHVAZSA-N |
| Literature Reference Author | K.JENETT-SIEMS,R.WEIGL,A.BOEHM,P.MANN,B.TOFERN-REBLIN,S.C.OT T,A.GHOMIAN,M.KALOGA |
| Literature Reference Citation | PHYTOCHEM.,66,1448(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.04.027 |
| Molecular Weight | 559.700 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ25011 |