| SpectraBase Compound ID | IdTKhnb9lmS |
|---|---|
| InChI | InChI=1S/C49H62O23/c1-25(2)18-49(48(63)65-24-28-10-15-30(16-11-28)67-46-42(61)40(59)37(56)32(21-51)69-46,72-47-43(62)44(38(57)33(22-52)70-47)71-34(53)17-12-26-6-4-3-5-7-26)19-35(54)64-23-27-8-13-29(14-9-27)66-45-41(60)39(58)36(55)31(20-50)68-45/h3-17,25,31-33,36-47,50-52,55-62H,18-24H2,1-2H3/b17-12+/t31-,32+,33-,36-,37+,38-,39+,40-,41-,42+,43-,44+,45-,46+,47+,49-/m1/s1 |
| InChIKey | JBOKFORDBNKZPH-BDUJEPMZSA-N |
| Mol Weight | 1019.0 g/mol |
| Molecular Formula | C49H62O23 |
| Exact Mass | 1018.368188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6M8vN02Jwri |
|---|---|
| Name | GYMNOSIDE_IV |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H62O23 |
| InChI | InChI=1S/C49H62O23/c1-25(2)18-49(48(63)65-24-28-10-15-30(16-11-28)67-46-42(61)40(59)37(56)32(21-51)69-46,72-47-43(62)44(38(57)33(22-52)70-47)71-34(53)17-12-26-6-4-3-5-7-26)19-35(54)64-23-27-8-13-29(14-9-27)66-45-41(60)39(58)36(55)31(20-50)68-45/h3-17,25,31-33,36-47,50-52,55-62H,18-24H2,1-2H3/b17-12+/t31-,32+,33-,36-,37+,38-,39+,40-,41-,42+,43-,44+,45-,46+,47+,49-/m1/s1 |
| InChIKey | JBOKFORDBNKZPH-BDUJEPMZSA-N |
| Literature Reference Author | T.MORIKAWA,H.XIE,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | J.NAT.PROD.,69,881(2006) |
| Literature Reference DOI | 10.1021/np0581115 |
| Molecular Weight | 1019.017 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18523 |