| SpectraBase Compound ID | JKulLLCalF3 |
|---|---|
| InChI | InChI=1S/C30H46O6/c1-25(2)12-14-30(24(35)36)15-13-28(6)18(19(30)16-25)8-9-21-27(5,17-22(31)32)20(10-11-29(21,28)7)26(3,4)23(33)34/h8,19-21H,9-17H2,1-7H3,(H,31,32)(H,33,34)(H,35,36)/t19-,20-,21+,27-,28+,29+,30-/m0/s1 |
| InChIKey | UCCQVJRIXILWAE-DETCRYNISA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C30H46O6 |
| Exact Mass | 502.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5wIIrNeDPl |
|---|---|
| Name | 2,3-SECO-OLEAN-12-ENE-2,3,28-TRIOIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O6 |
| InChI | InChI=1S/C30H46O6/c1-25(2)12-14-30(24(35)36)15-13-28(6)18(19(30)16-25)8-9-21-27(5,17-22(31)32)20(10-11-29(21,28)7)26(3,4)23(33)34/h8,19-21H,9-17H2,1-7H3,(H,31,32)(H,33,34)(H,35,36)/t19-,20-,21+,27-,28+,29+,30-/m0/s1 |
| InChIKey | UCCQVJRIXILWAE-DETCRYNISA-N |
| Literature Reference Author | R.A.S.MACAHIG,K.MATSUNAMI,H.OTSUKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,397(2011) |
| Literature Reference DOI | 10.1248/cpb.59.397 |
| Molecular Weight | 502.692 g/mol |
| Sample ID | 2793 |
| Solvent | DMSO-D6 |