| SpectraBase Compound ID | LejAMDz00RO |
|---|---|
| InChI | InChI=1S/C17H22O9/c18-6-12-13(20)14(21)15(22)17(26-12)25-11-5-9(19)4-8-3-7(16(23)24)1-2-10(8)11/h4-5,7,12-15,17-22H,1-3,6H2,(H,23,24)/t7?,12-,13-,14+,15-,17-/m0/s1 |
| InChIKey | LZKGKUKUSQNWFR-WRLAKLCSSA-N |
| Mol Weight | 370.35 g/mol |
| Molecular Formula | C17H22O9 |
| Exact Mass | 370.126382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mr7zDkd7ic |
|---|---|
| Name | ACERATOSIDE;(7-HYDROXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC-ACID-BETA-D-GLUCOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H22O9 |
| InChI | InChI=1S/C17H22O9/c18-6-12-13(20)14(21)15(22)17(26-12)25-11-5-9(19)4-8-3-7(16(23)24)1-2-10(8)11/h4-5,7,12-15,17-22H,1-3,6H2,(H,23,24)/t7?,12-,13-,14+,15-,17-/m0/s1 |
| InChIKey | LZKGKUKUSQNWFR-WRLAKLCSSA-N |
| Literature Reference Author | S.B.SINGH,G.R.PETTIT |
| Literature Reference Citation | J.NAT.PROD.,53,1187(1990) |
| Literature Reference DOI | 10.1021/np50071a009 |
| Molecular Weight | 370.356 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU198 |