| SpectraBase Compound ID | PhJiEq9Hw3 |
|---|---|
| InChI | InChI=1S/C45H61N11O12S/c1-7-22(3)36-38(61)44(67)54-33(19-68-6)45-51-26(20-69-45)9-14-35(60)52-31(15-25-17-47-29-11-10-27(58)16-28(25)29)40(63)48-18-32(42(65)50-24(5)39(62)55-36)53-43(66)37(23(4)8-2)56-41(64)30(49-21-57)12-13-34(46)59/h9-11,14,16-17,20-24,30-33,36-37,47,58H,7-8,12-13,15,18-19H2,1-6H3,(H2,46,59)(H,48,63)(H,49,57)(H,50,65)(H,52,60)(H,53,66)(H,54,67)(H,55,62)(H,56,64)/b14-9+/t22-,23+,24+,30+,31+,32+,33+,36-,37+/m1/s1 |
| InChIKey | JAXZWSYDJRQPOL-FPAUDDLQSA-N |
| Mol Weight | 980.1 g/mol |
| Molecular Formula | C45H61N11O12S |
| Exact Mass | 979.422188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 167G4tuvkvZ |
|---|---|
| Name | CALYXAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H61N11O12S |
| InChI | InChI=1S/C45H61N11O12S/c1-7-22(3)36-38(61)44(67)54-33(19-68-6)45-51-26(20-69-45)9-14-35(60)52-31(15-25-17-47-29-11-10-27(58)16-28(25)29)40(63)48-18-32(42(65)50-24(5)39(62)55-36)53-43(66)37(23(4)8-2)56-41(64)30(49-21-57)12-13-34(46)59/h9-11,14,16-17,20-24,30-33,36-37,47,58H,7-8,12-13,15,18-19H2,1-6H3,(H2,46,59)(H,48,63)(H,49,57)(H,50,65)(H,52,60)(H,53,66)(H,54,67)(H,55,62)(H,56,64)/b14-9+/t22-,23+,24+,30+,31+,32+,33+,36-,37+/m1/s1 |
| InChIKey | JAXZWSYDJRQPOL-FPAUDDLQSA-N |
| Literature Reference Author | M.KIMURA,T.WAKIMOTO,Y.EGAMI,K.C.TAN,Y.ISE,I.ABE |
| Literature Reference Citation | J.NAT.PROD.,75,290(2012) |
| Literature Reference DOI | 10.1021/np2009187 |
| Molecular Weight | 980.106 g/mol |
| Sample ID | 40089 |
| Solvent | DMSO-D6 |