| SpectraBase Compound ID | DVwWLbEWifa |
|---|---|
| InChI | InChI=1S/C44H56O8/c1-39(2)22-23-44(38(49)50)21-18-32-41(5)19-16-31-40(3,4)35(52-37(48)27-10-14-29(46)15-11-27)30(51-36(47)26-8-12-28(45)13-9-26)24-43(31,7)33(41)17-20-42(32,6)34(44)25-39/h8-15,18,30-31,33-35,45-46H,16-17,19-25H2,1-7H3,(H,49,50)/t30-,31?,33?,34?,35+,41+,42-,43+,44-/m1/s1 |
| InChIKey | XPEVLOSUULAUFH-QOAKHUDCSA-N |
| Mol Weight | 712.9 g/mol |
| Molecular Formula | C44H56O8 |
| Exact Mass | 712.397519 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 | 2bDpgHxQQbl |
|---|---|
| Name | 2-ALPHA-HYDROXYALEURITOLIC-ACID-2,3-BIS-(P-HYDROXYBENZOATE) |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H56O8 |
| InChI | InChI=1S/C44H56O8/c1-39(2)22-23-44(38(49)50)21-18-32-41(5)19-16-31-40(3,4)35(52-37(48)27-10-14-29(46)15-11-27)30(51-36(47)26-8-12-28(45)13-9-26)24-43(31,7)33(41)17-20-42(32,6)34(44)25-39/h8-15,18,30-31,33-35,45-46H,16-17,19-25H2,1-7H3,(H,49,50)/t30-,31?,33?,34?,35+,41+,42-,43+,44-/m1/s1 |
| InChIKey | XPEVLOSUULAUFH-QOAKHUDCSA-N |
| Literature Reference Author | J.A.BEUTLER,Y.KASHMAN,M.TISCHLER,J.H.CARDELLINA,G.N.GRAY,M.J .CURRENS,M.E.WALL,M. |
| Literature Reference Citation | J.NAT.PROD.,58,1039(1995) |
| Literature Reference DOI | 10.1021/np50121a008 |
| Molecular Weight | 712.924 g/mol |
| Solvent | CDCl3:CD3OD=2:1 |
| Source File Reference | UWVP6653 |