| SpectraBase Compound ID | 42HcVyQchYo |
|---|---|
| InChI | InChI=1S/C44H64BO14/c1-29-21-23-37-27-35(48)25-33(46)19-15-11-8-6-10-14-18-32(4)53-42(51)40-44-30(2)22-24-38(55-44)28-36(49)26-34(47)20-16-12-7-5-9-13-17-31(3)52-41(50)39-43(29,54-37)58-45(56-39,57-40)59-44/h5-12,29-34,37-40,46-47H,13-28H2,1-4H3/q-1/b9-5-,10-6-,11-8+,12-7+/t29-,30-,31+,32+,33+,34+,37+,38+,39+,40+,43+,44+,45?/m1/s1 |
| InChIKey | TUFQUNBGUWSRMC-JXLRDHQLSA-N |
| Mol Weight | 827.8 g/mol |
| Molecular Formula | C44H64BO14 |
| Exact Mass | 827.438912 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72wcEqcjYX3 |
|---|---|
| Name | TUFQUNBGUWSRMC-JXLRDHQLSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H64BO14 |
| InChI | InChI=1S/C44H64BO14/c1-29-21-23-37-27-35(48)25-33(46)19-15-11-8-6-10-14-18-32(4)53-42(51)40-44-30(2)22-24-38(55-44)28-36(49)26-34(47)20-16-12-7-5-9-13-17-31(3)52-41(50)39-43(29,54-37)58-45(56-39,57-40)59-44/h5-12,29-34,37-40,46-47H,13-28H2,1-4H3/q-1/b9-5-,10-6-,11-8+,12-7+/t29-,30-,31+,32+,33+,34+,37+,38+,39+,40+,43+,44+,45?/m1/s1 |
| InChIKey | TUFQUNBGUWSRMC-JXLRDHQLSA-N |
| Literature Reference Author | M.PEREZ,C.CRESPO,C.SCHLEISSNER,P.RODRIGUEZ,P.ZUNIGA,F.REYES |
| Literature Reference Citation | J.NAT.PROD.,72,2192(2009) |
| Literature Reference DOI | 10.1021/np9006603 |
| Molecular Weight | 827.794 g/mol |
| Sample ID | 34278 |
| Solvent | CD3OD |