| SpectraBase Compound ID | EuO1aoKvhrM |
|---|---|
| InChI | InChI=1S/C29H35N3O4/c1-19(2)10-15-25(33)32-26-27(22-8-6-5-7-9-22)36-23-13-11-21(12-14-23)16-17-30-28(34)24(18-20(3)4)31-29(26)35/h5-17,19-20,24,26-27H,18H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)/b15-10+,17-16-/t24-,26-,27+/m0/s1 |
| InChIKey | BCKFBSQASKVSKD-BBCYIRQDSA-N |
| Mol Weight | 489.6 g/mol |
| Molecular Formula | C29H35N3O4 |
| Exact Mass | 489.262757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5zepBjvUlhR |
|---|---|
| Name | DISCARENE-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H35N3O4 |
| InChI | InChI=1S/C29H35N3O4/c1-19(2)10-15-25(33)32-26-27(22-8-6-5-7-9-22)36-23-13-11-21(12-14-23)16-17-30-28(34)24(18-20(3)4)31-29(26)35/h5-17,19-20,24,26-27H,18H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)/b15-10+,17-16-/t24-,26-,27+/m0/s1 |
| InChIKey | BCKFBSQASKVSKD-BBCYIRQDSA-N |
| Literature Reference Author | S.R.GIACOMELLI,F.C.MISSAU,M.A.MOSTARDEIRO,U.F.DASILVA,I.I.DA LCOL,N.ZANATTA,A.F.M |
| Literature Reference Citation | J.NAT.PROD.,64,997(2001) |
| Literature Reference DOI | 10.1021/np000552v |
| Molecular Weight | 489.615 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1704 |