| SpectraBase Compound ID | I9VExQtAkkK |
|---|---|
| InChI | InChI=1S/2C47H60N8O9/c2*1-5-28(2)40-44(60)50-37(23-20-30-18-21-33(56)22-19-30)45(61)55(4)29(3)41(57)51-38(25-31-13-7-6-8-14-31)42(58)48-24-12-11-17-36(43(59)54-40)52-47(64)53-39(46(62)63)26-32-27-49-35-16-10-9-15-34(32)35/h2*6-10,13-16,18-19,21-22,27-29,36-40,49,56H,5,11-12,17,20,23-26H2,1-4H3,(H,48,58)(H,50,60)(H,51,57)(H,54,59)(H,62,63)(H2,52,53,64)/t2*28?,29-,36+,37-,38-,39?,40-/m00/s1 |
| InChIKey | PSXCQPMVULLOEA-RSXMRLPJSA-N |
| Mol Weight | 1762.1 g/mol |
| Molecular Formula | C94H120N16O18 |
| Exact Mass | 1760.896651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7iiWyhbNua |
|---|---|
| Name | FERINTOIC-ACID-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H120N16O18 |
| InChI | InChI=1S/2C47H60N8O9/c2*1-5-28(2)40-44(60)50-37(23-20-30-18-21-33(56)22-19-30)45(61)55(4)29(3)41(57)51-38(25-31-13-7-6-8-14-31)42(58)48-24-12-11-17-36(43(59)54-40)52-47(64)53-39(46(62)63)26-32-27-49-35-16-10-9-15-34(32)35/h2*6-10,13-16,18-19,21-22,27-29,36-40,49,56H,5,11-12,17,20,23-26H2,1-4H3,(H,48,58)(H,50,60)(H,51,57)(H,54,59)(H,62,63)(H2,52,53,64)/t2*28?,29-,36+,37-,38-,39?,40-/m00/s1 |
| InChIKey | PSXCQPMVULLOEA-RSXMRLPJSA-N |
| Literature Reference Author | D.E.WILLIAMS,M.CRAIG,C.F.B.HOLMES,R.J.ANDERSEN |
| Literature Reference Citation | J.NAT.PROD.,59,570(1996) |
| Literature Reference DOI | 10.1021/np960108l |
| Molecular Weight | 1762.083 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRK855 |