| SpectraBase Compound ID | KCwyCUyxZkI |
|---|---|
| InChI | InChI=1S/C36H41NO7/c1-33(2)12-6-13-34(3)27(33)11-14-35-17-22(9-10-28(34)35)36(39,18-35)19-42-32(38)24-16-26-31(44-20-43-26)30-23-8-5-4-7-21(23)15-25(29(24)30)37(40)41/h4-5,7-8,15-16,22,27-28,39H,6,9-14,17-20H2,1-3H3/t22-,27-,28+,34-,35+,36+/m1/s1 |
| InChIKey | NSKGDTVEJJFLRM-JAZARSDYSA-N |
| Mol Weight | 599.7 g/mol |
| Molecular Formula | C36H41NO7 |
| Exact Mass | 599.288303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYUJmQo7MMJ |
|---|---|
| Name | ARISTOLOIN-II;ENT-16-BETA-HYDROXY-17-KAURANYL-ARISTOLACHATE-II |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H41NO7 |
| InChI | InChI=1S/C36H41NO7/c1-33(2)12-6-13-34(3)27(33)11-14-35-17-22(9-10-28(34)35)36(39,18-35)19-42-32(38)24-16-26-31(44-20-43-26)30-23-8-5-4-7-21(23)15-25(29(24)30)37(40)41/h4-5,7-8,15-16,22,27-28,39H,6,9-14,17-20H2,1-3H3/t22-,27-,28+,34-,35+,36+/m1/s1 |
| InChIKey | NSKGDTVEJJFLRM-JAZARSDYSA-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 | 599.724 g/mol |
| Sample ID | 69429 |
| Solvent | CDCl3 |