![CHIKUSETSUSAPONIN-IVA;3-O-[BETA-D-GLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID](/api/spectrum/Gkd8bgiHiqo/structure.png?h=300&w=458 "CHIKUSETSUSAPONIN-IVA;3-O-[BETA-D-GLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID")
| SpectraBase Compound ID | DGOdsIrZnrR |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1 |
| InChIKey | YOSRLTNUOCHBEA-SGVKAIFKSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gkd8bgiHiqo |
|---|---|
| Name | CHIKUSETSUSAPONIN-IVA;3-O-[BETA-D-GLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1 |
| InChIKey | YOSRLTNUOCHBEA-SGVKAIFKSA-N |
| Literature Reference Author | C.LAVAUD,L.VOUTQUENNE,P.BAL,I.POUNY |
| Literature Reference Citation | FITOTERAPIA,71,338(2000) |
| Literature Reference DOI | 10.1016/S0367-326X(99)00166-5 |
| Molecular Weight | 794.978 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN3830 |