| SpectraBase Compound ID | JUWE9gpZzxE |
|---|---|
| InChI | InChI=1S/C29H34O14/c1-11-16-8-18-28-10-38-29(26(36)37-7,23(28)21(25(35)43-18)41-14(4)32)24(42-15(5)33)20(40-13(3)31)22(28)27(16,6)9-17(34)19(11)39-12(2)30/h16,18,20-24H,8-10H2,1-7H3/t16-,18+,20-,21+,22+,23+,24-,27-,28+,29-/m0/s1 |
| InChIKey | PZOLXTLBGRAFOL-KWLLRIGWSA-N |
| Mol Weight | 606.6 g/mol |
| Molecular Formula | C29H34O14 |
| Exact Mass | 606.194856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3y1dN3L9vj0 |
|---|---|
| Name | BRUCEIN-B-TRIACETATE |
| CAS Registry Number | 37746-38-6 |
| Compound Number | 13B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34O14 |
| InChI | InChI=1S/C29H34O14/c1-11-16-8-18-28-10-38-29(26(36)37-7,23(28)21(25(35)43-18)41-14(4)32)24(42-15(5)33)20(40-13(3)31)22(28)27(16,6)9-17(34)19(11)39-12(2)30/h16,18,20-24H,8-10H2,1-7H3/t16-,18+,20-,21+,22+,23+,24-,27-,28+,29-/m0/s1 |
| InChIKey | PZOLXTLBGRAFOL-KWLLRIGWSA-N |
| Literature Reference Author | J.POLONSKY,Z.BASKEVITCH,H.E.GOTTLIEB,E.W.HAGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,40,2499(1975) |
| Literature Reference DOI | 10.1021/jo00905a017 |
| Molecular Weight | 606.581 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS12422 |