| SpectraBase Compound ID | 1Bbssz92QQ4 |
|---|---|
| InChI | InChI=1S/C30H49BrO10/c1-19-11-12-21-15-22(39-28-27(37-6)26(36-5)25(35-4)20(2)38-28)16-30(34,40-21)18-24(33)41-29(3,17-23(19)32)13-9-7-8-10-14-31/h7-8,10,14,19-23,25-28,32,34H,9,11-13,15-18H2,1-6H3/b8-7+,14-10+/t19-,20-,21+,22-,23-,25-,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | CKTXZFBKOQGTIC-VLYLIKAFSA-N |
| Mol Weight | 649.6 g/mol |
| Molecular Formula | C30H49BrO10 |
| Exact Mass | 648.250911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AjnPCseBhY |
|---|---|
| Name | 18-(E)-LYNGBYALOSIDE_C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H49BrO10 |
| InChI | InChI=1S/C30H49BrO10/c1-19-11-12-21-15-22(39-28-27(37-6)26(36-5)25(35-4)20(2)38-28)16-30(34,40-21)18-24(33)41-29(3,17-23(19)32)13-9-7-8-10-14-31/h7-8,10,14,19-23,25-28,32,34H,9,11-13,15-18H2,1-6H3/b8-7+,14-10+/t19-,20-,21+,22-,23-,25-,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | CKTXZFBKOQGTIC-VLYLIKAFSA-N |
| Literature Reference Author | S.MATTHEW,L.A.SALVADOR,P.J.SCHUPP,V.J.PAUL,H.LUESCH |
| Literature Reference Citation | J.NAT.PROD.,73,1544(2010) |
| Literature Reference DOI | 10.1021/np1004032 |
| Molecular Weight | 649.617 g/mol |
| Sample ID | 36352 |
| Solvent | CDCl3 |