| SpectraBase Compound ID | KesqLPgWWg9 |
|---|---|
| InChI | InChI=1S/C38H60O12/c1-19-11-14-38(32(45)50-30-27(42)26(41)25(40)22(49-30)18-47-7)16-15-34(3)20(28(38)37(19,6)46)9-10-23-33(2)17-21(39)29(43)36(5,31(44)48-8)24(33)12-13-35(23,34)4/h9,19,21-30,39-43,46H,10-18H2,1-8H3/t19-,21-,22-,23-,24-,25-,26+,27-,28-,29+,30+,33-,34-,35-,36-,37-,38+/m1/s1 |
| InChIKey | PGUPZDAKZBXHLT-YHYNRHSVSA-N |
| Mol Weight | 708.9 g/mol |
| Molecular Formula | C38H60O12 |
| Exact Mass | 708.408477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KhTyBjHa9jH |
|---|---|
| Name | 2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-URS-12-EN-24,28-DIOIC-ACID-24-METHYLESTER-28-O-(6'-O-METHYL-BETA-D-GLUCOPYRANOSYL)-ESTER |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H60O12 |
| InChI | InChI=1S/C38H60O12/c1-19-11-14-38(32(45)50-30-27(42)26(41)25(40)22(49-30)18-47-7)16-15-34(3)20(28(38)37(19,6)46)9-10-23-33(2)17-21(39)29(43)36(5,31(44)48-8)24(33)12-13-35(23,34)4/h9,19,21-30,39-43,46H,10-18H2,1-8H3/t19-,21-,22-,23-,24-,25-,26+,27-,28-,29+,30+,33-,34-,35-,36-,37-,38+/m1/s1 |
| InChIKey | PGUPZDAKZBXHLT-YHYNRHSVSA-N |
| Literature Reference Author | B.G.WANG,X.M.SHEN,L.YANG,Z.J.JIA |
| Literature Reference Citation | PHYTOCHEM.,46,559(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00314-2 |
| Molecular Weight | 708.887 g/mol |
| Sample ID | 45450 |
| Solvent | C5D5N |