| SpectraBase Compound ID | 8S9rw4N2tU2 |
|---|---|
| InChI | InChI=1S/C42H46O18/c1-7-30-31-19-36(48)50-16-15-28-10-13-33(54-23(3)44)34(18-28)58-29-11-8-27(9-12-29)14-17-51-40(49)32(31)20-53-41(30)60-42-39(57-26(6)47)38(56-25(5)46)37(55-24(4)45)35(59-42)21-52-22(2)43/h7-13,18,20,31,35,37-39,41-42H,14-17,19,21H2,1-6H3/b30-7-/t31-,35-,37-,38+,39-,41-,42+/m0/s1 |
| InChIKey | XLCAXDFHUFRJFP-NRUUPGHYSA-N |
| Mol Weight | 838.8 g/mol |
| Molecular Formula | C42H46O18 |
| Exact Mass | 838.268415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFaZdUL8b9g |
|---|---|
| Name | UHDOSIDE-A-PENTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O18 |
| InChI | InChI=1S/C42H46O18/c1-7-30-31-19-36(48)50-16-15-28-10-13-33(54-23(3)44)34(18-28)58-29-11-8-27(9-12-29)14-17-51-40(49)32(31)20-53-41(30)60-42-39(57-26(6)47)38(56-25(5)46)37(55-24(4)45)35(59-42)21-52-22(2)43/h7-13,18,20,31,35,37-39,41-42H,14-17,19,21H2,1-6H3/b30-7-/t31-,35-,37-,38+,39-,41-,42+/m0/s1 |
| InChIKey | XLCAXDFHUFRJFP-NRUUPGHYSA-N |
| Literature Reference Author | Y.C.SHEN,C.H.CHEN |
| Literature Reference Citation | J.NAT.PROD.,56,1905(1993) |
| Literature Reference DOI | 10.1021/np50101a006 |
| Molecular Weight | 838.816 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS5035 |