| SpectraBase Compound ID | Ffw4BPG3ekr |
|---|---|
| InChI | InChI=1S/C40H64O9/c1-9-10-21-47-32(44)31-29(42)28(41)30(43)33(49-31)48-27-14-15-37(6)25(36(27,4)5)13-16-39(8)26(37)12-11-23-24-22-35(2,3)17-19-40(24,34(45)46)20-18-38(23,39)7/h11,24-31,33,41-43H,9-10,12-22H2,1-8H3,(H,45,46)/t24-,25-,26+,27-,28-,29-,30+,31-,33+,37?,38?,39?,40-/m0/s1 |
| InChIKey | SSAPGJPMDABFIB-QOPBFNCNSA-N |
| Mol Weight | 688.9 g/mol |
| Molecular Formula | C40H64O9 |
| Exact Mass | 688.455034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCQ55lb1Cmp |
|---|---|
| Name | OLEANOLIC_ACID-3-O-BETA-D-GLUCURONOPYRANOSIDE-6-O-BUTYLESTER;CALENDULOSIDE_E_BUTYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H64O9 |
| InChI | InChI=1S/C40H64O9/c1-9-10-21-47-32(44)31-29(42)28(41)30(43)33(49-31)48-27-14-15-37(6)25(36(27,4)5)13-16-39(8)26(37)12-11-23-24-22-35(2,3)17-19-40(24,34(45)46)20-18-38(23,39)7/h11,24-31,33,41-43H,9-10,12-22H2,1-8H3,(H,45,46)/t24-,25-,26+,27-,28-,29-,30+,31-,33+,37?,38?,39?,40-/m0/s1 |
| InChIKey | SSAPGJPMDABFIB-QOPBFNCNSA-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 | 688.943 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8979 |