| SpectraBase Compound ID | 4UKy8iK0XWa |
|---|---|
| InChI | InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | MLKQAGPAYHTNQQ-BRDPIYJESA-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 | 1ZDxDfVENRI |
|---|---|
| Name | TORMENTIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER;2-ALPHA,3-BETA-DIHYDROXY-URS-12-EN-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O10 |
| InChI | InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | MLKQAGPAYHTNQQ-BRDPIYJESA-N |
| Literature Reference Author | J.C.A.TANAKA,G.J.VIDOTTI,C.C.D.SILVA |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,14,475(2003) |
| Literature Reference DOI | 10.1590/s0103-50532003000300024 |
| Molecular Weight | 650.851 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU6944 |