| SpectraBase Compound ID | 9FA7hx3OhL0 |
|---|---|
| InChI | InChI=1S/C20H32O5/c1-11(2)12-8-13-14(21)10-15-18(3,17(23)24)6-5-7-19(15,4)20(13,25)16(22)9-12/h8,11-12,14-16,21-22,25H,5-7,9-10H2,1-4H3,(H,23,24)/t12-,14-,15+,16-,18-,19+,20+/m1/s1 |
| InChIKey | LZYHFJPEGUWYFK-OFBXBTIBSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C20H32O5 |
| Exact Mass | 352.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLsa2O2OKud |
|---|---|
| Name | 7-ALPHA,9-ALPHA,11-ALPHA-TRIHYDROXYABIET-8(14)-EN-18-OIC-ACID |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H32O5 |
| InChI | InChI=1S/C20H32O5/c1-11(2)12-8-13-14(21)10-15-18(3,17(23)24)6-5-7-19(15,4)20(13,25)16(22)9-12/h8,11-12,14-16,21-22,25H,5-7,9-10H2,1-4H3,(H,23,24)/t12-,14-,15+,16-,18-,19+,20+/m1/s1 |
| InChIKey | LZYHFJPEGUWYFK-OFBXBTIBSA-N |
| Literature Reference Author | M.G.D.CARVALHO,V.M.RUMJANEK,M.D.J.S.LOPES,A.G.D.CARVALHO |
| Literature Reference Citation | PHYTOCHEM.,49,1101(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01045-5 |
| Molecular Weight | 352.471 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU419 |