| SpectraBase Compound ID | EWLH6hjgqlW |
|---|---|
| InChI | InChI=1S/C37H43NO8/c1-34(2)12-6-13-35(3)28(34)11-14-36-17-21(9-10-29(35)36)37(40,18-36)19-44-33(39)24-16-27-32(46-20-45-27)31-22-7-5-8-26(43-4)23(22)15-25(30(24)31)38(41)42/h5,7-8,15-16,21,28-29,40H,6,9-14,17-20H2,1-4H3/t21-,28-,29+,35-,36+,37+/m1/s1 |
| InChIKey | KJRNIPCHVAAIKZ-ITGUHTALSA-N |
| Mol Weight | 629.8 g/mol |
| Molecular Formula | C37H43NO8 |
| Exact Mass | 629.298867 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gJTmb3w1D |
|---|---|
| Name | ARISTOLOIN-I;ENT-16-BETA-HYDROXY-17-KAURANYL-ARISTOLACHATE-I |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H43NO8 |
| InChI | InChI=1S/C37H43NO8/c1-34(2)12-6-13-35(3)28(34)11-14-36-17-21(9-10-29(35)36)37(40,18-36)19-44-33(39)24-16-27-32(46-20-45-27)31-22-7-5-8-26(43-4)23(22)15-25(30(24)31)38(41)42/h5,7-8,15-16,21,28-29,40H,6,9-14,17-20H2,1-4H3/t21-,28-,29+,35-,36+,37+/m1/s1 |
| InChIKey | KJRNIPCHVAAIKZ-ITGUHTALSA-N |
| Literature Reference Author | A.G.PACHECO,P.M.DEOLIVEIRA,D.PILO-VELOSO,A.F.D.C.ALCANTARA |
| Literature Reference Citation | MOLECULES,14,1245(2009) |
| Literature Reference DOI | 10.3390/molecules14031245 |
| Molecular Weight | 629.750 g/mol |
| Sample ID | 69428 |
| Solvent | CDCl3 |