| SpectraBase Compound ID | KikF8VTBqED |
|---|---|
| InChI | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20?,21?,22-,23+,24?,25-,26-,27+,28?,29-,31+,32+,33+,34-/m0/s1 |
| InChIKey | XFSBVAOIAHNAPC-UHFFFAOYSA-N |
| Mol Weight | 645.7 g/mol |
| Molecular Formula | C34H47NO11 |
| Exact Mass | 645.314911 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | J17qdsC5qno |
|---|---|
| Name | aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,16beta)- |
| Copyright | Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 645.314911326 u |
| Formula | C34H47NO11 |
| InChI | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3 |
| InChIKey | XFSBVAOIAHNAPC-UHFFFAOYSA-N |
| Molecular Weight | 645.746 g/mol |
| NMR Offset | 17.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_5011 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/10210494; Lab Info: AUP; Lab Number: AUP-n000007a |