| SpectraBase Compound ID | HJ8VSDT7heI |
|---|---|
| InChI | InChI=1S/C44H56O9/c1-39(2)22-23-44(38(50)51)21-18-30-41(5)19-16-29-40(3,4)35(53-37(49)26-10-14-28(46)15-11-26)33(52-36(48)25-8-12-27(45)13-9-25)34(47)43(29,7)31(41)17-20-42(30,6)32(44)24-39/h8-15,18,29,31-35,45-47H,16-17,19-24H2,1-7H3,(H,50,51)/t29?,31?,32?,33-,34-,35+,41+,42-,43+,44-/m1/s1 |
| InChIKey | GNISFMNGCJKUOP-WWMPGJOCSA-N |
| Mol Weight | 728.9 g/mol |
| Molecular Formula | C44H56O9 |
| Exact Mass | 728.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSrwr14ITaS |
|---|---|
| Name | 1-BETA,2-ALPHA-DIHYDROXYALEURITOLIC-ACID-2,3-BIS-PARA-HYDROXYBENZOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H56O9 |
| InChI | InChI=1S/C44H56O9/c1-39(2)22-23-44(38(50)51)21-18-30-41(5)19-16-29-40(3,4)35(53-37(49)26-10-14-28(46)15-11-26)33(52-36(48)25-8-12-27(45)13-9-25)34(47)43(29,7)31(41)17-20-42(30,6)32(44)24-39/h8-15,18,29,31-35,45-47H,16-17,19-24H2,1-7H3,(H,50,51)/t29?,31?,32?,33-,34-,35+,41+,42-,43+,44-/m1/s1 |
| InChIKey | GNISFMNGCJKUOP-WWMPGJOCSA-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 | 728.923 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWVP5457 |