| 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
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| SpectraBase Spectrum ID | FnXVjY6HWYv |
|---|---|
| Name | 2-ALPHA-HYDROXYALEURITOLIC-ACID-2,3-BIS-PARA-HYDROXYBENZOATE |
| Compound Number | 4 |
| 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 | S.K.CHAUDHURI,F.FULLAS,D.M.BROWN,M.C.WANI,M.E.WALL,L.CAI,W.M AR,S.K.LEE,Y.LUO,K.Z |
| Literature Reference Citation | J.NAT.PROD.,58,1(1995) |
| Literature Reference DOI | 10.1021/np50115a001 |
| Molecular Weight | 712.924 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWVP5460 |