| SpectraBase Compound ID | 3WvffqHJJJZ |
|---|---|
| InChI | InChI=1S/C20H32O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13-16,21-22,25H,5-9H2,1-4H3,(H,23,24)/t13-,14+,15+,16-,18+,19+,20+/m0/s1 |
| InChIKey | WGJYYARKNLFWSA-AWKFRVKISA-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 | CzDvHT2lBuk |
|---|---|
| Name | 7-ALPHA,12-ALPHA,13-BETA-TRIHYDROXYABIET-8(14)-EN-18-OIC-ACID |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H32O5 |
| InChI | InChI=1S/C20H32O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13-16,21-22,25H,5-9H2,1-4H3,(H,23,24)/t13-,14+,15+,16-,18+,19+,20+/m0/s1 |
| InChIKey | WGJYYARKNLFWSA-AWKFRVKISA-N |
| Literature Reference Author | H.OHTSU,R.TANAKA,Y.IN,S.MATSUNAGA,H.TOKUDA,H.NISHINO |
| Literature Reference Citation | CAN.J.CHEM.,78,31(2000) |
| Literature Reference DOI | 10.1139/cjc-78-1-31 |
| Molecular Weight | 352.471 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI546 |