| SpectraBase Compound ID | 2eRqnth6G4S |
|---|---|
| InChI | InChI=1S/C40H46O21/c1-17-31-32(35(33(17)55-21(5)44)60-30(48)13-11-25-10-12-27(53-19(3)42)28(14-25)54-20(4)43)26(38(49)50-9)15-52-39(31)61-40-37(58-24(8)47)36(57-23(7)46)34(56-22(6)45)29(59-40)16-51-18(2)41/h10-15,17,29,31-37,39-40H,16H2,1-9H3/b13-11+/t17-,29+,31+,32+,33+,34+,35-,36-,37+,39-,40-/m1/s1 |
| InChIKey | PBOCXRFXINXDBY-RIAAHHEHSA-N |
| Mol Weight | 862.8 g/mol |
| Molecular Formula | C40H46O21 |
| Exact Mass | 862.253158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1drk7PSgVKK |
|---|---|
| Name | CAUDATOSIDE-E-HEPTAACETATE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46O21 |
| InChI | InChI=1S/C40H46O21/c1-17-31-32(35(33(17)55-21(5)44)60-30(48)13-11-25-10-12-27(53-19(3)42)28(14-25)54-20(4)43)26(38(49)50-9)15-52-39(31)61-40-37(58-24(8)47)36(57-23(7)46)34(56-22(6)45)29(59-40)16-51-18(2)41/h10-15,17,29,31-37,39-40H,16H2,1-9H3/b13-11+/t17-,29+,31+,32+,33+,34+,35-,36-,37+,39-,40-/m1/s1 |
| InChIKey | PBOCXRFXINXDBY-RIAAHHEHSA-N |
| Literature Reference Author | S.AYERS,A.T.SNEDEN |
| Literature Reference Citation | J.NAT.PROD.,65,1621(2002) |
| Literature Reference DOI | 10.1021/np020211c |
| Molecular Weight | 862.793 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7212 |