| SpectraBase Compound ID | E42y7dnHSjN |
|---|---|
| InChI | InChI=1S/C36H58O10/c1-31(2)14-19-18-8-9-23-33(5)15-20(38)28(43)32(3,4)22(33)10-11-35(23,7)34(18,6)12-13-36(19,16-24(31)39)30(44)46-29-27(42)26(41)25(40)21(17-37)45-29/h8,19-29,37-43H,9-17H2,1-7H3/t19-,20+,21+,22-,23+,24-,25+,26-,27+,28-,29-,33-,34+,35+,36+/m0/s1 |
| InChIKey | HPVDDLBBYAGYGP-RRSFFFAXSA-N |
| Mol Weight | 650.9 g/mol |
| Molecular Formula | C36H58O10 |
| Exact Mass | 650.402998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EHSpoAMuqqV |
|---|---|
| Name | 2-ALPHA,3-BETA,21-BETA-TRIHYDROXY-URSOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O10 |
| InChI | InChI=1S/C36H58O10/c1-31(2)14-19-18-8-9-23-33(5)15-20(38)28(43)32(3,4)22(33)10-11-35(23,7)34(18,6)12-13-36(19,16-24(31)39)30(44)46-29-27(42)26(41)25(40)21(17-37)45-29/h8,19-29,37-43H,9-17H2,1-7H3/t19-,20+,21+,22-,23+,24-,25+,26-,27+,28-,29-,33-,34+,35+,36+/m0/s1 |
| InChIKey | HPVDDLBBYAGYGP-RRSFFFAXSA-N |
| Literature Reference Author | G.P.ZHOU,Y.YU,M.M.YUAN,T.JI,H.Z.FU,R.J.ZHONG |
| Literature Reference Citation | MOLECULES,20,9071(2015) |
| Literature Reference DOI | 10.3390/molecules20059071 |
| Molecular Weight | 650.851 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA3168 |