| SpectraBase Compound ID | KdLbk9UsNuz |
|---|---|
| InChI | InChI=1S/C36H54O12/c1-16(2)17-9-12-35(31(46)48-29-26(40)25(39)24(38)19(15-37)47-29)13-14-36(30(44)45)18(22(17)35)7-8-21-33(36,5)11-10-20-32(3,4)27(41)23(28(42)43)34(20,21)6/h17-27,29,37-41H,1,7-15H2,2-6H3,(H,42,43)(H,44,45)/t17-,18+,19+,20?,21?,22+,23+,24+,25-,26+,27-,29-,33+,34-,35-,36+/m0/s1 |
| InChIKey | BYLFJKWGLXIRHU-XWYBSZMHSA-N |
| Mol Weight | 678.8 g/mol |
| Molecular Formula | C36H54O12 |
| Exact Mass | 678.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JuFIrICcKVV |
|---|---|
| Name | HOVETRICHOSIDE-H;2-ALPHA-CARBOXY-3-BETA-HYDROXY-3-(2->1)-ABEOLUP-20(29)-EN-27,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O12 |
| InChI | InChI=1S/C36H54O12/c1-16(2)17-9-12-35(31(46)48-29-26(40)25(39)24(38)19(15-37)47-29)13-14-36(30(44)45)18(22(17)35)7-8-21-33(36,5)11-10-20-32(3,4)27(41)23(28(42)43)34(20,21)6/h17-27,29,37-41H,1,7-15H2,2-6H3,(H,42,43)(H,44,45)/t17-,18+,19+,20?,21?,22+,23+,24+,25-,26+,27-,29-,33+,34-,35-,36+/m0/s1 |
| InChIKey | BYLFJKWGLXIRHU-XWYBSZMHSA-N |
| Literature Reference Author | K.YOSHIKAWA,Y.KONDO,E.KIMURA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,49,2057(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00409-9 |
| Molecular Weight | 678.818 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU928 |