| SpectraBase Compound ID | DOPX3AoHJPE |
|---|---|
| InChI | InChI=1S/C18H21NO9/c1-9(8-26-17(25)10-2-4-11(21)5-3-10)12(6-19)27-18-16(24)15(23)14(22)13(7-20)28-18/h2-5,12-16,18,20-24H,1,7-8H2/t12?,13-,14-,15+,16-,18-/m0/s1 |
| InChIKey | SPSBHTOJRSLHKS-ASNGRQIQSA-N |
| Mol Weight | 395.36 g/mol |
| Molecular Formula | C18H21NO9 |
| Exact Mass | 395.121631 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FV1L8KuSaNb |
|---|---|
| Name | CARDIOSPERMIN-5-(4-HYDROXY)-BENZOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H21NO9 |
| InChI | InChI=1S/C18H21NO9/c1-9(8-26-17(25)10-2-4-11(21)5-3-10)12(6-19)27-18-16(24)15(23)14(22)13(7-20)28-18/h2-5,12-16,18,20-24H,1,7-8H2/t12?,13-,14-,15+,16-,18-/m0/s1 |
| InChIKey | SPSBHTOJRSLHKS-ASNGRQIQSA-N |
| Literature Reference Author | D.K.KIM,O.P.ZEE |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1766(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1766 |
| Molecular Weight | 395.366 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN4710 |