| SpectraBase Compound ID | 6ttYJSsuZG1 |
|---|---|
| InChI | InChI=1S/C48H54O23/c1-10-34-35(21-42(57)59-17-15-32-11-13-37(63-25(3)50)39(19-32)65-27(5)52)36(46(58)60-18-16-33-12-14-38(64-26(4)51)40(20-33)66-28(6)53)22-62-47(34)71-48-45(69-31(9)56)44(68-30(8)55)43(67-29(7)54)41(70-48)23-61-24(2)49/h10-14,19-20,22,35,41,43-45,47-48H,15-18,21,23H2,1-9H3/b34-10-/t35-,41-,43-,44+,45-,47-,48+/m1/s1 |
| InChIKey | QKNAEFINYBPVSV-UEWDDPPPSA-N |
| Mol Weight | 998.9 g/mol |
| Molecular Formula | C48H54O23 |
| Exact Mass | 998.305588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALTtGqf2jL3 |
|---|---|
| Name | NEOOLEUROPEIN-OCTAACETATE |
| Compound Number | 161 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H54O23 |
| InChI | InChI=1S/C48H54O23/c1-10-34-35(21-42(57)59-17-15-32-11-13-37(63-25(3)50)39(19-32)65-27(5)52)36(46(58)60-18-16-33-12-14-38(64-26(4)51)40(20-33)66-28(6)53)22-62-47(34)71-48-45(69-31(9)56)44(68-30(8)55)43(67-29(7)54)41(70-48)23-61-24(2)49/h10-14,19-20,22,35,41,43-45,47-48H,15-18,21,23H2,1-9H3/b34-10-/t35-,41-,43-,44+,45-,47-,48+/m1/s1 |
| InChIKey | QKNAEFINYBPVSV-UEWDDPPPSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 998.943 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4532 |