| SpectraBase Compound ID | B5N0U4vzb4e |
|---|---|
| InChI | InChI=1S/C36H58O9/c1-31(2)14-16-36(30(43)45-29-27(41)26(40)25(39)20(18-37)44-29)17-15-34(6)19(24(36)28(31)42)8-9-22-33(5)12-11-23(38)32(3,4)21(33)10-13-35(22,34)7/h8,20-29,37-42H,9-18H2,1-7H3/t20-,21+,22-,23+,24-,25-,26+,27-,28+,29+,33+,34-,35-,36+/m1/s1 |
| InChIKey | BPRNBIVVHNFCPZ-SKCKXSBFSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjRYspnv6Jp |
|---|---|
| Name | 3-BETA,19-ALPHA-DIHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O9 |
| InChI | InChI=1S/C36H58O9/c1-31(2)14-16-36(30(43)45-29-27(41)26(40)25(39)20(18-37)44-29)17-15-34(6)19(24(36)28(31)42)8-9-22-33(5)12-11-23(38)32(3,4)21(33)10-13-35(22,34)7/h8,20-29,37-42H,9-18H2,1-7H3/t20-,21+,22-,23+,24-,25-,26+,27-,28+,29+,33+,34-,35-,36+/m1/s1 |
| InChIKey | BPRNBIVVHNFCPZ-SKCKXSBFSA-N |
| Literature Reference Author | W.SUN,Z.L.ZHANG,X.LIU,S.ZHANG,L.HE,Z.WANG,G.S.WANG |
| Literature Reference Citation | MOLECULES,17,7629(2012) |
| Literature Reference DOI | 10.3390/molecules17077629 |
| Molecular Weight | 634.851 g/mol |
| Sample ID | 960 |
| Solvent | DMSO-D6 |