| SpectraBase Compound ID | 8LYzIqDHt9Z |
|---|---|
| InChI | InChI=1S/C34H38O18/c1-13(36)47-10-22-26(39)28(41)29(42)33(49-22)52-34(12-35)30-27(40)23(51-34)11-48-31(43)17-6-15-8-21(46-3)19(38)9-16(15)24(25(17)32(44)50-30)14-4-5-18(37)20(7-14)45-2/h4-9,22-30,33,35,37-42H,10-12H2,1-3H3/t22-,23-,24-,25-,26-,27-,28+,29-,30+,33-,34+/m1/s1 |
| InChIKey | XOMTWRCRDIWSSU-RHBOSXCVSA-N |
| Mol Weight | 734.7 g/mol |
| Molecular Formula | C34H38O18 |
| Exact Mass | 734.205814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRwsnc5IiXg |
|---|---|
| Name | TRIGONOTIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H38O18 |
| InChI | InChI=1S/C34H38O18/c1-13(36)47-10-22-26(39)28(41)29(42)33(49-22)52-34(12-35)30-27(40)23(51-34)11-48-31(43)17-6-15-8-21(46-3)19(38)9-16(15)24(25(17)32(44)50-30)14-4-5-18(37)20(7-14)45-2/h4-9,22-30,33,35,37-42H,10-12H2,1-3H3/t22-,23-,24-,25-,26-,27-,28+,29-,30+,33-,34+/m1/s1 |
| InChIKey | XOMTWRCRDIWSSU-RHBOSXCVSA-N |
| Literature Reference Author | H.OTSUKA,H.KUWABARA,H.HOSHIYAMA |
| Literature Reference Citation | J.NAT.PROD.,71,1178(2008) |
| Literature Reference DOI | 10.1021/np800071r |
| Molecular Weight | 734.665 g/mol |
| Sample ID | 28641 |
| Solvent | CD3OD |