| SpectraBase Compound ID | 2rPYEht60Xz |
|---|---|
| InChI | InChI=1S/C38H60O11/c1-20-11-16-38(32(44)49-30-28(42)27(41)26(40)22(48-30)19-46-7)18-17-34(3)21(29(38)37(20,6)45)9-10-23-33(2)14-13-25(39)36(5,31(43)47-8)24(33)12-15-35(23,34)4/h9,20,22-30,39-42,45H,10-19H2,1-8H3/t20-,22-,23-,24-,25+,26-,27+,28-,29-,30+,33-,34-,35-,36-,37-,38+/m1/s1 |
| InChIKey | IOJPRQYIKZBDGT-VHABWNRPSA-N |
| Mol Weight | 692.9 g/mol |
| Molecular Formula | C38H60O11 |
| Exact Mass | 692.413563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPMk8yZA3en |
|---|---|
| Name | 3-BETA,19-ALPHA-DIHYDROXY-URS-12-EN-24,28-DIOIC-ACID-24-METHYLESTER-28-O-(6'-O-METHYL-BETA-D-GLUCOPYRANOSYL)-ESTER |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H60O11 |
| InChI | InChI=1S/C38H60O11/c1-20-11-16-38(32(44)49-30-28(42)27(41)26(40)22(48-30)19-46-7)18-17-34(3)21(29(38)37(20,6)45)9-10-23-33(2)14-13-25(39)36(5,31(43)47-8)24(33)12-15-35(23,34)4/h9,20,22-30,39-42,45H,10-19H2,1-8H3/t20-,22-,23-,24-,25+,26-,27+,28-,29-,30+,33-,34-,35-,36-,37-,38+/m1/s1 |
| InChIKey | IOJPRQYIKZBDGT-VHABWNRPSA-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 | 692.888 g/mol |
| Sample ID | 45449 |
| Solvent | C5D5N |