| SpectraBase Compound ID | jfDzinmDa0 |
|---|---|
| InChI | InChI=1S/C39H70O16/c1-7-8-9-10-11-12-13-16-32(46)55-37-35(49)34(48)30(23-42)53-38(37)54-31(39(6,50)18-14-15-24(2)3)20-29(52-26(5)43)25(4)17-19-51-36(28(45)22-41)33(47)27(44)21-40/h15,17,27-31,33-38,40-42,44-45,47-50H,7-14,16,18-23H2,1-6H3/b25-17+/t27-,28-,29+,30-,31+,33-,34-,35+,36-,37+,38+,39+/m1/s1 |
| InChIKey | BSSOMGPJSAMOKC-ZSURLWHCSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C39H70O16 |
| Exact Mass | 794.466386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G79vsNcwQbA |
|---|---|
| Name | COSMOSPORASIDE_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H70O16 |
| InChI | InChI=1S/C39H70O16/c1-7-8-9-10-11-12-13-16-32(46)55-37-35(49)34(48)30(23-42)53-38(37)54-31(39(6,50)18-14-15-24(2)3)20-29(52-26(5)43)25(4)17-19-51-36(28(45)22-41)33(47)27(44)21-40/h15,17,27-31,33-38,40-42,44-45,47-50H,7-14,16,18-23H2,1-6H3/b25-17+/t27-,28-,29+,30-,31+,33-,34-,35+,36-,37+,38+,39+/m1/s1 |
| InChIKey | BSSOMGPJSAMOKC-ZSURLWHCSA-N |
| Literature Reference Author | T.H.LEE,C.K.LU,G.J.WANG,Y.C.CHANG,W.B.YANG,Y.M.JU |
| Literature Reference Citation | J.NAT.PROD.,74,1561(2011) |
| Literature Reference DOI | 10.1021/np200056e |
| Molecular Weight | 794.975 g/mol |
| Sample ID | 38526 |
| Solvent | C5D5N |