| SpectraBase Compound ID | 9aC6aYdKIwr |
|---|---|
| InChI | InChI=1S/C38H48O12/c1-19(2)21-7-9-37-31(49-37)29(17-35(5)15-25(41)27(47-35)13-23(39)11-21)46-34(44)38-10-8-22(20(3)4)12-24(40)14-28-26(42)16-36(6,48-28)18-30(32(38)50-38)45-33(37)43/h21-22,27-32H,1,3,7-18H2,2,4-6H3/t21-,22-,27-,28+,29+,30+,31-,32-,35+,36+,37+,38+/m0/s1 |
| InChIKey | JPXGEATUXBZSBO-YAKSJXATSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C38H48O12 |
| Exact Mass | 696.314577 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 | AuTJAQP8Tlo |
|---|---|
| Name | SINGARDIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H48O12 |
| InChI | InChI=1S/C38H48O12/c1-19(2)21-7-9-37-31(49-37)29(17-35(5)15-25(41)27(47-35)13-23(39)11-21)46-34(44)38-10-8-22(20(3)4)12-24(40)14-28-26(42)16-36(6,48-28)18-30(32(38)50-38)45-33(37)43/h21-22,27-32H,1,3,7-18H2,2,4-6H3/t21-,22-,27-,28+,29+,30+,31-,32-,35+,36+,37+,38+/m0/s1 |
| InChIKey | JPXGEATUXBZSBO-YAKSJXATSA-N |
| Literature Reference Author | K.A.ELSAYED,M.T.HAMANN |
| Literature Reference Citation | J.NAT.PROD.,59,687(1996) |
| Literature Reference DOI | 10.1021/np960207z |
| Molecular Weight | 696.792 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15382 |