| SpectraBase Compound ID | 1kqJu2OeMag |
|---|---|
| InChI | InChI=1S/C30H44O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,19,23,25H,8,10-17H2,1-7H3,(H,33,34)/t19-,23-,25-,28+,29+,30-/m0/s1 |
| InChIKey | RWQINIOQZXZDGZ-WATQOBGISA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C30H44O4 |
| Exact Mass | 468.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpnUD6AHGmu |
|---|---|
| Name | PINICOLIC-ACID-B;3,16-DIOXOLANOSTA-8,24-DIEN-21-OIC-ACID |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O4 |
| InChI | InChI=1S/C30H44O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,19,23,25H,8,10-17H2,1-7H3,(H,33,34)/t19-,23-,25-,28+,29+,30-/m0/s1 |
| InChIKey | RWQINIOQZXZDGZ-WATQOBGISA-N |
| Literature Reference Author | J.ROESECKE,W.A.KOENIG |
| Literature Reference Citation | PHYTOCHEM.,52,1621(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00349-0 |
| Molecular Weight | 468.677 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN292 |