| SpectraBase Compound ID | 81NpPbsVyUO |
|---|---|
| InChI | InChI=1S/C46H69N9O9/c1-6-64-45(63)35(16-12-22-49-46(47)48)52-43(61)38(25-31-26-50-34-15-11-10-14-33(31)34)54-41(59)36(23-29(4)5)53-44(62)39(27-56)55-42(60)37(24-30-18-20-32(57)21-19-30)51-40(58)17-9-7-8-13-28(2)3/h10-11,14-15,18-21,26,28-29,35-39,50,56-57H,6-9,12-13,16-17,22-25,27H2,1-5H3,(H,51,58)(H,52,61)(H,53,62)(H,54,59)(H,55,60)(H4,47,48,49)/t35-,36+,37-,38+,39-/m1/s1 |
| InChIKey | PXRAOBALJVAXFC-NYEJKPTQSA-N |
| Mol Weight | 892.1 g/mol |
| Molecular Formula | C46H69N9O9 |
| Exact Mass | 891.521825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvTrxcLQzBs |
|---|---|
| Name | TAURAMAMIDE_ETHYLESTER;NATURAL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H69N9O9 |
| InChI | InChI=1S/C46H69N9O9/c1-6-64-45(63)35(16-12-22-49-46(47)48)52-43(61)38(25-31-26-50-34-15-11-10-14-33(31)34)54-41(59)36(23-29(4)5)53-44(62)39(27-56)55-42(60)37(24-30-18-20-32(57)21-19-30)51-40(58)17-9-7-8-13-28(2)3/h10-11,14-15,18-21,26,28-29,35-39,50,56-57H,6-9,12-13,16-17,22-25,27H2,1-5H3,(H,51,58)(H,52,61)(H,53,62)(H,54,59)(H,55,60)(H4,47,48,49)/t35-,36+,37-,38+,39-/m1/s1 |
| InChIKey | PXRAOBALJVAXFC-NYEJKPTQSA-N |
| Literature Reference Author | K.DESJARDINE,A.PEREIRA,H.WRIGHT,T.MATAINAHO,M.KELLY,R.J.ANDE RSEN |
| Literature Reference Citation | J.NAT.PROD.,70,1850(2007) |
| Literature Reference DOI | 10.1021/np070209r |
| Molecular Weight | 892.109 g/mol |
| Sample ID | 31125 |
| Solvent | DMSO-D6 |