| SpectraBase Compound ID | 1J4pGfZO2Bc |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24?,28+,29+,30-/m0/s1 |
| InChIKey | XLPAINGDLCDYQV-VIXFIPQPSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwmaWUIhCuV |
|---|---|
| Name | PINICOLIC-ACID-A;3-OXOLANOSTA-8,24-DIEN-21-OIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24?,28+,29+,30-/m0/s1 |
| InChIKey | XLPAINGDLCDYQV-VIXFIPQPSA-N |
| Literature Reference Author | A.C.KELLER,M.P.MAILLARD,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,41,1041(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00762-8 |
| Molecular Weight | 454.693 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4219 |