| SpectraBase Compound ID | 7lt9kQnF50n |
|---|---|
| InChI | InChI=1S/C29H40O5/c1-6-20(2)8-14-23-28(4)17-7-16-27(3,24(28)18-25(31)29(23,5)33)19-34-26(32)15-11-21-9-12-22(30)13-10-21/h6,9-13,15,23-25,30-31,33H,1-2,7-8,14,16-19H2,3-5H3/b15-11+/t23-,24+,25-,27-,28-,29+/m1/s1 |
| InChIKey | KSSMCBMLOPQHOP-CXVDEOLRSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C29H40O5 |
| Exact Mass | 468.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | aIBZ1FhFys |
|---|---|
| Name | 7-ALPHA,8-ALPHA-DIHYDROXYLABDA-13(16),14-DIEN-19-YL-TRANS-4-HYDROXYCINNAMATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O5 |
| InChI | InChI=1S/C29H40O5/c1-6-20(2)8-14-23-28(4)17-7-16-27(3,24(28)18-25(31)29(23,5)33)19-34-26(32)15-11-21-9-12-22(30)13-10-21/h6,9-13,15,23-25,30-31,33H,1-2,7-8,14,16-19H2,3-5H3/b15-11+/t23-,24+,25-,27-,28-,29+/m1/s1 |
| InChIKey | KSSMCBMLOPQHOP-CXVDEOLRSA-N |
| Literature Reference Author | W.H.LIN,J.M.FANG,Y.S.CHENG |
| Literature Reference Citation | PHYTOCHEM.,48,1391(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00039-9 |
| Molecular Weight | 468.634 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1497 |