| SpectraBase Compound ID | GHyMLKJo6Hf |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22?,23?,24?,27+,28?,29+,30?,31-/m1/s1 |
| InChIKey | APWKRIUMZUJNPQ-FLRFJOOFSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7W1EQxGeMAZ |
|---|---|
| Name | Mesembryanthemoidigenic-acid, methylester |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22?,23?,24?,27+,28?,29+,30?,31-/m1/s1 |
| InChIKey | APWKRIUMZUJNPQ-FLRFJOOFSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | Phytochem. 25, 1625 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |