| SpectraBase Compound ID | D0e1VqeTSO0 |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h9,21-23H,3,8,10-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21-,22-,23+,28-,29-,30+/m0/s1 |
| InChIKey | ZOQINMSKLIQAKX-WCFJWIPDSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21LzNnkfN62 |
|---|---|
| Name | PINICOLIC-ACID-C;3,4-SECOLANOSTA-4(28),8,24-TRIEN-3,21-DIOIC-ACID |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h9,21-23H,3,8,10-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21-,22-,23+,28-,29-,30+/m0/s1 |
| InChIKey | ZOQINMSKLIQAKX-WCFJWIPDSA-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 | 470.693 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN293 |