| SpectraBase Compound ID | YkPEUBVRb5 |
|---|---|
| InChI | InChI=1S/C46H74O17/c1-40(2)25-7-11-43(5)26(8-12-46-27-15-41(3,20-48)13-14-45(27,21-59-46)28(50)16-44(43,46)6)42(25,4)10-9-29(40)62-37-35(56)32(53)24(19-58-37)61-39-36(33(54)31(52)23(17-47)60-39)63-38-34(55)30(51)22(49)18-57-38/h20,22-39,47,49-56H,7-19,21H2,1-6H3/t22?,23-,24?,25?,26+,27-,28+,29?,30?,31-,32-,33-,34-,35-,36+,37?,38?,39+,41-,42?,43+,44-,45-,46+/m0/s1 |
| InChIKey | JFAKXPCWZPQXLP-JQZDEJBUSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C46H74O17 |
| Exact Mass | 898.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wtcSK2bQRS |
|---|---|
| Name | Primulanine |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C46H74O17 |
| InChI | InChI=1S/C46H74O17/c1-40(2)25-7-11-43(5)26(8-12-46-27-15-41(3,20-48)13-14-45(27,21-59-46)28(50)16-44(43,46)6)42(25,4)10-9-29(40)62-37-35(56)32(53)24(19-58-37)61-39-36(33(54)31(52)23(17-47)60-39)63-38-34(55)30(51)22(49)18-57-38/h20,22-39,47,49-56H,7-19,21H2,1-6H3/t22?,23-,24?,25?,26+,27-,28+,29?,30?,31-,32-,33-,34-,35-,36+,37?,38?,39+,41-,42?,43+,44-,45-,46+/m0/s1 |
| InChIKey | JFAKXPCWZPQXLP-JQZDEJBUSA-N |
| Instrument Name | SF = 300 MHz |
| Literature Reference | Phytochem. 27, 304 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3OD |