| SpectraBase Compound ID | IrH3HfqpCQH |
|---|---|
| InChI | InChI=1S/C41H46O20/c1-18-34(53-21(4)44)36(55-23(6)46)38(57-25(8)48)40(51-18)61-39-37(56-24(7)47)35(54-22(5)45)32(17-50-19(2)42)60-41(39)58-27-14-30(52-20(3)43)33-28(49)16-29(59-31(33)15-27)26-12-10-9-11-13-26/h9-15,18,29,32,34-41H,16-17H2,1-8H3/t18-,29?,32+,34-,35+,36+,37-,38+,39?,40-,41+/m0/s1 |
| InChIKey | HTSMVUJMLRHBMD-NJBLBABUSA-N |
| Mol Weight | 858.8 g/mol |
| Molecular Formula | C41H46O20 |
| Exact Mass | 858.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Do9TkZHqGby |
|---|---|
| Name | Pinocembrin-7-neohesperidoside heptaacetate |
| CAS Registry Number | 30927-12-9 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C41H46O20 |
| InChI | InChI=1S/C41H46O20/c1-18-34(53-21(4)44)36(55-23(6)46)38(57-25(8)48)40(51-18)61-39-37(56-24(7)47)35(54-22(5)45)32(17-50-19(2)42)60-41(39)58-27-14-30(52-20(3)43)33-28(49)16-29(59-31(33)15-27)26-12-10-9-11-13-26/h9-15,18,29,32,34-41H,16-17H2,1-8H3/t18-,29?,32+,34-,35+,36+,37-,38+,39?,40-,41+/m0/s1 |
| InChIKey | HTSMVUJMLRHBMD-NJBLBABUSA-N |
| Literature Reference | A. Pomilio, E. Gros, Phytochem. 18, 1410 (1979). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |