| SpectraBase Compound ID | 970RXYxS70l |
|---|---|
| InChI | InChI=1S/C31H40O16/c1-10(2)5-16(33)47-22-24-30-9-43-31(24,28(41)42)25(39)21(38)23(30)29(4)7-13(17(34)11(3)12(29)6-15(30)46-26(22)40)44-27-20(37)19(36)18(35)14(8-32)45-27/h5,7,11-12,14-15,18-25,27,32,35-39H,6,8-9H2,1-4H3,(H,41,42)/t11-,12-,14-,15+,18-,19+,20-,21+,22+,23+,24+,25-,27-,29-,30+,31-/m0/s1 |
| InChIKey | CXVWQUMYRFPSCJ-ACSBPVJDSA-N |
| Mol Weight | 668.6 g/mol |
| Molecular Formula | C31H40O16 |
| Exact Mass | 668.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BqhKk0oIgfC |
|---|---|
| Name | BRUCEOSIDE-D |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O16 |
| InChI | InChI=1S/C31H40O16/c1-10(2)5-16(33)47-22-24-30-9-43-31(24,28(41)42)25(39)21(38)23(30)29(4)7-13(17(34)11(3)12(29)6-15(30)46-26(22)40)44-27-20(37)19(36)18(35)14(8-32)45-27/h5,7,11-12,14-15,18-25,27,32,35-39H,6,8-9H2,1-4H3,(H,41,42)/t11-,12-,14-,15+,18-,19+,20-,21+,22+,23+,24+,25-,27-,29-,30+,31-/m0/s1 |
| InChIKey | CXVWQUMYRFPSCJ-ACSBPVJDSA-N |
| Literature Reference Author | S.OHNISHI,N.FUKAMIYA,M.OKANO,K.TAGAHARA,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,58,1032(1995) |
| Literature Reference DOI | 10.1021/np50121a007 |
| Molecular Weight | 668.649 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWVP6656 |