| SpectraBase Compound ID | 3qzAdEiu2Jo |
|---|---|
| InChI | InChI=1S/C30H46O18/c1-12(2)5-20(37)47-27-21-16(6-19(36)30(21,40)11-32)15(8-41-27)9-42-29-26(45-14(4)34)25(44-13(3)33)24(18(7-31)46-29)48-28-23(39)22(38)17(35)10-43-28/h8,12,16-19,21-29,31-32,35-36,38-40H,5-7,9-11H2,1-4H3/t16?,17-,18-,19?,21?,22+,23-,24-,25-,26-,27?,28-,29+,30?/m1/s1 |
| InChIKey | HNVFZXCTULIOET-XFMXISTMSA-N |
| Mol Weight | 694.7 g/mol |
| Molecular Formula | C30H46O18 |
| Exact Mass | 694.268415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52QiHMAgZym |
|---|---|
| Name | Opulus iridoid iv |
| CAS Registry Number | 69353-82-8 |
| Comments | COUPLING CONSTANTS +/-5 HZ ONLY REASSIGNED (R.R.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H46O18 |
| InChI | InChI=1S/C30H46O18/c1-12(2)5-20(37)47-27-21-16(6-19(36)30(21,40)11-32)15(8-41-27)9-42-29-26(45-14(4)34)25(44-13(3)33)24(18(7-31)46-29)48-28-23(39)22(38)17(35)10-43-28/h8,12,16-19,21-29,31-32,35-36,38-40H,5-7,9-11H2,1-4H3/t16?,17-,18-,19?,21?,22+,23-,24-,25-,26-,27?,28-,29+,30?/m1/s1 |
| InChIKey | HNVFZXCTULIOET-XFMXISTMSA-N |
| Literature Reference | K. Bock, S.R. Jensen, Phytochem. 17, 753 (1978). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |