![OLEANOLIC_ACID-3-O-[BETA-D-GLUCURONOPYRANOSIDE-6-O-BUTYLESTER]-28-O-BETA-D-GLUCOPYRANOSIDE;CHIKUTSETSUSAPONIN_IVA_BUTYLESTER](/api/spectrum/LqZ9Ly9oFzy/structure.png?h=300&w=458 "OLEANOLIC_ACID-3-O-[BETA-D-GLUCURONOPYRANOSIDE-6-O-BUTYLESTER]-28-O-BETA-D-GLUCOPYRANOSIDE;CHIKUTSETSUSAPONIN_IVA_BUTYLESTER")
| SpectraBase Compound ID | EORdN1bwYLE |
|---|---|
| InChI | InChI=1S/C46H74O14/c1-9-10-21-56-37(54)36-33(51)32(50)35(53)39(59-36)58-29-14-15-43(6)27(42(29,4)5)13-16-45(8)28(43)12-11-24-25-22-41(2,3)17-19-46(25,20-18-44(24,45)7)40(55)60-38-34(52)31(49)30(48)26(23-47)57-38/h11,25-36,38-39,47-53H,9-10,12-23H2,1-8H3/t25-,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,38-,39+,43?,44?,45?,46-/m0/s1 |
| InChIKey | UMELIPOCPCVHGJ-XYXBJEHWSA-N |
| Mol Weight | 851.1 g/mol |
| Molecular Formula | C46H74O14 |
| Exact Mass | 850.507857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqZ9Ly9oFzy |
|---|---|
| Name | OLEANOLIC_ACID-3-O-[BETA-D-GLUCURONOPYRANOSIDE-6-O-BUTYLESTER]-28-O-BETA-D-GLUCOPYRANOSIDE;CHIKUTSETSUSAPONIN_IVA_BUTYLESTER |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O14 |
| InChI | InChI=1S/C46H74O14/c1-9-10-21-56-37(54)36-33(51)32(50)35(53)39(59-36)58-29-14-15-43(6)27(42(29,4)5)13-16-45(8)28(43)12-11-24-25-22-41(2,3)17-19-46(25,20-18-44(24,45)7)40(55)60-38-34(52)31(49)30(48)26(23-47)57-38/h11,25-36,38-39,47-53H,9-10,12-23H2,1-8H3/t25-,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,38-,39+,43?,44?,45?,46-/m0/s1 |
| InChIKey | UMELIPOCPCVHGJ-XYXBJEHWSA-N |
| Literature Reference Author | M.HU,K.OGAWA,Y.SASHIDA,P.G.XIAO |
| Literature Reference Citation | PHYTOCHEM.,39,179(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00902-6 |
| Molecular Weight | 851.085 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8989 |