| SpectraBase Compound ID | IxTD58cjZPz |
|---|---|
| InChI | InChI=1S/C35H52O14/c1-33-8-5-18(47-32-30(43)28(41)26(39)23(49-32)15-46-31-29(42)27(40)25(38)22(13-36)48-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(37)45-14-16/h7,11,17-18,20-23,25-32,36,38-44H,3-6,8-10,12-15H2,1-2H3/t17-,18+,20?,21?,22-,23-,25-,26+,27+,28+,29-,30-,31-,32-,33+,34-,35+/m1/s1 |
| InChIKey | IGQVDHJWLPOLPN-YULYMQONSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C35H52O14 |
| Exact Mass | 696.335706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BMYH8XurSs |
|---|---|
| Name | 16,17-DIHYDRO-NERIDIENONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O14 |
| InChI | InChI=1S/C35H52O14/c1-33-8-5-18(47-32-30(43)28(41)26(39)23(49-32)15-46-31-29(42)27(40)25(38)22(13-36)48-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(37)45-14-16/h7,11,17-18,20-23,25-32,36,38-44H,3-6,8-10,12-15H2,1-2H3/t17-,18+,20?,21?,22-,23-,25-,26+,27+,28+,29-,30-,31-,32-,33+,34-,35+/m1/s1 |
| InChIKey | IGQVDHJWLPOLPN-YULYMQONSA-N |
| Literature Reference Author | R.N.YADAV,K.RATHORE |
| Literature Reference Citation | FITOTERAPIA,72,459(2001) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00337-3 |
| Molecular Weight | 696.789 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4043 |