| SpectraBase Compound ID | KPkREI3cBY2 |
|---|---|
| InChI | InChI=1S/C27H34O16/c1-12(28)36-10-19-21(39-14(3)30)22(40-15(4)31)23(41-16(5)32)26(42-19)43-25-20-17(18(9-37-25)24(33)35-6)7-8-27(20,34)11-38-13(2)29/h7-9,17,19-23,25-26,34H,10-11H2,1-6H3/t17?,19-,20?,21-,22+,23-,25?,26+,27?/m0/s1 |
| InChIKey | LEZFNHDIMZMCGU-QWTBEKDTSA-N |
| Mol Weight | 614.6 g/mol |
| Molecular Formula | C27H34O16 |
| Exact Mass | 614.184685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PdIoSBJN7T |
|---|---|
| Name | Monotropein methyl ester pentaacetate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H34O16 |
| InChI | InChI=1S/C27H34O16/c1-12(28)36-10-19-21(39-14(3)30)22(40-15(4)31)23(41-16(5)32)26(42-19)43-25-20-17(18(9-37-25)24(33)35-6)7-8-27(20,34)11-38-13(2)29/h7-9,17,19-23,25-26,34H,10-11H2,1-6H3/t17?,19-,20?,21-,22+,23-,25?,26+,27?/m0/s1 |
| InChIKey | LEZFNHDIMZMCGU-QWTBEKDTSA-N |
| Literature Reference | S. Uesato, E. Ali, Phytochem. 21, 353 (1982). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |