| SpectraBase Compound ID | 8BQdvSiSzVr |
|---|---|
| InChI | InChI=1S/C49H93NO10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-42(53)48(58)50-40(37-59-49-47(57)46(56)45(55)43(36-51)60-49)44(54)41(52)33-29-27-24-25-28-32-39-35-38(39)31-6-4-2/h27,29,38-47,49,51-57H,3-26,28,30-37H2,1-2H3,(H,50,58)/b29-27+/t38?,39?,40-,41-,42+,43-,44+,45-,46+,47-,49-/m0/s1 |
| InChIKey | TVQMRUDVRPMEND-IHPWNRPMSA-N |
| Mol Weight | 856.3 g/mol |
| Molecular Formula | C49H93NO10 |
| Exact Mass | 855.679948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dwzFi1W1QB |
|---|---|
| Name | GRACILARIOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H93NO10 |
| InChI | InChI=1S/C49H93NO10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-42(53)48(58)50-40(37-59-49-47(57)46(56)45(55)43(36-51)60-49)44(54)41(52)33-29-27-24-25-28-32-39-35-38(39)31-6-4-2/h27,29,38-47,49,51-57H,3-26,28,30-37H2,1-2H3,(H,50,58)/b29-27+/t38?,39?,40-,41-,42+,43-,44+,45-,46+,47-,49-/m0/s1 |
| InChIKey | TVQMRUDVRPMEND-IHPWNRPMSA-N |
| Literature Reference Author | Y.SUN,Y.XU,K.LIU,H.HUA,H.ZHU,Y.PEI |
| Literature Reference Citation | J.NAT.PROD.,69,1488(2006) |
| Literature Reference DOI | 10.1021/np060043e |
| Molecular Weight | 856.278 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ15839 |