| SpectraBase Compound ID | 9KkAokkE2jO |
|---|---|
| InChI | InChI=1S/C39H68O16/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/h11-12,15,17,27-31,33-38,40-42,44-45,47-50H,7-10,13-14,16,18-23H2,1-6H3/b12-11+,25-17+/t27-,28-,29+,30-,31+,33-,34-,35+,36-,37+,38+,39+/m1/s1 |
| InChIKey | BNBIPVQRFYGGRR-LELBNZRTSA-N |
| Mol Weight | 793.0 g/mol |
| Molecular Formula | C39H68O16 |
| Exact Mass | 792.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A1JO2ONP06u |
|---|---|
| Name | COSMOSPORASIDE_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H68O16 |
| InChI | InChI=1S/C39H68O16/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/h11-12,15,17,27-31,33-38,40-42,44-45,47-50H,7-10,13-14,16,18-23H2,1-6H3/b12-11+,25-17+/t27-,28-,29+,30-,31+,33-,34-,35+,36-,37+,38+,39+/m1/s1 |
| InChIKey | BNBIPVQRFYGGRR-LELBNZRTSA-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 | 792.959 g/mol |
| Sample ID | 38527 |
| Solvent | C5D5N |