| SpectraBase Compound ID | J5hnE6sgjXW |
|---|---|
| InChI | InChI=1S/C31H36N2O11/c1-13(2)20-12-16-11-15(7-9-19(16)40-20)27(36)33-21-22(34)17-8-10-18(14(3)24(17)42-28(21)37)41-29-23(35)25(43-30(32)38)26(39-6)31(4,5)44-29/h7-11,13,20,23,25-26,29,34-35H,12H2,1-6H3,(H2,32,38)(H,33,36)/t20?,23-,25+,26-,29-/m1/s1 |
| InChIKey | YNRLZXZXAKJHIR-KJNXQIJGSA-N |
| Mol Weight | 612.6 g/mol |
| Molecular Formula | C31H36N2O11 |
| Exact Mass | 612.23191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNNg7YFkbsi |
|---|---|
| Name | COUMABIOCIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36N2O11 |
| InChI | InChI=1S/C31H36N2O11/c1-13(2)20-12-16-11-15(7-9-19(16)40-20)27(36)33-21-22(34)17-8-10-18(14(3)24(17)42-28(21)37)41-29-23(35)25(43-30(32)38)26(39-6)31(4,5)44-29/h7-11,13,20,23,25-26,29,34-35H,12H2,1-6H3,(H2,32,38)(H,33,36)/t20?,23-,25+,26-,29-/m1/s1 |
| InChIKey | YNRLZXZXAKJHIR-KJNXQIJGSA-N |
| Literature Reference Author | S.CHEENPRACHA,N.B.VIDOR,W.Y.YOSHIDA,J.DAVIES,L.C.CHANG |
| Literature Reference Citation | J.NAT.PROD.,73,880(2010) |
| Literature Reference DOI | 10.1021/np900843b |
| Molecular Weight | 612.634 g/mol |
| Sample ID | 35500 |
| Solvent | CD3OD |