| SpectraBase Compound ID | 4EsiX7vvP6k |
|---|---|
| InChI | InChI=1S/C39H58O5/c1-35(2)29-13-10-25-23-37(5)19-16-30-36(3,4)33(44-34(43)15-9-24-8-12-27(40)28(41)22-24)18-21-39(30,7)31(37)14-11-26(25)38(29,6)20-17-32(35)42/h8,10,12,22,26,29-33,40-42H,9,11,13-21,23H2,1-7H3/t26-,29-,30?,31?,32-,33-,37-,38+,39-/m0/s1 |
| InChIKey | LRDNGJPHSOZKDQ-VILQBYDPSA-N |
| Mol Weight | 606.9 g/mol |
| Molecular Formula | C39H58O5 |
| Exact Mass | 606.428425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNTXKE2Q6bl |
|---|---|
| Name | 21-ALPHA-HYDROXYSERRAT-14-EN-3-BETA-YL-DIHYDROCAFFEATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H58O5 |
| InChI | InChI=1S/C39H58O5/c1-35(2)29-13-10-25-23-37(5)19-16-30-36(3,4)33(44-34(43)15-9-24-8-12-27(40)28(41)22-24)18-21-39(30,7)31(37)14-11-26(25)38(29,6)20-17-32(35)42/h8,10,12,22,26,29-33,40-42H,9,11,13-21,23H2,1-7H3/t26-,29-,30?,31?,32-,33-,37-,38+,39-/m0/s1 |
| InChIKey | LRDNGJPHSOZKDQ-VILQBYDPSA-N |
| Literature Reference Author | H.ZHOU,C.H.TAN,S.H.JIANG,D.Y.ZHU |
| Literature Reference Citation | J.NAT.PROD.,66,1328(2003) |
| Literature Reference DOI | 10.1021/np0301590 |
| Molecular Weight | 606.887 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1100 |