| SpectraBase Compound ID | LWnrnyHK9hY |
|---|---|
| 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?/m0/s1 |
| InChIKey | APWKRIUMZUJNPQ-NNGIVIHVSA-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 | B2ONjbgVgYx |
|---|---|
| Name | MESEMBRYANTHEMOIDIGENIC-ACID-METHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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?/m0/s1 |
| InChIKey | APWKRIUMZUJNPQ-NNGIVIHVSA-N |
| Literature Reference Author | A.IKUTA,H.ITOKAWA |
| Literature Reference Citation | J.NAT.PROD.,52,623(1989) |
| Literature Reference DOI | 10.1021/np50063a024 |
| Molecular Weight | 486.736 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS465 |