| SpectraBase Compound ID | 8D8BXLGEGBG |
|---|---|
| InChI | InChI=1S/C44H68O19/c1-19-39(63-41-38(53)36(51)34(49)29(62-41)18-57-40-37(52)35(50)33(48)28(16-45)61-40)26(55-5)14-31(58-19)60-23-8-10-42(3)22(13-23)6-7-25-24(42)9-11-43(4)32(21-12-30(47)56-17-21)27(59-20(2)46)15-44(25,43)54/h12,19,22-29,31-41,45,48-54H,6-11,13-18H2,1-5H3/t19-,22-,23+,24?,25?,26+,27+,28+,29+,31-,32+,33+,34+,35-,36-,37+,38+,39-,40+,41-,42+,43-,44+/m1/s1 |
| InChIKey | PKZLCDIEFSFXDK-OQXDCQFQSA-N |
| Mol Weight | 901.0 g/mol |
| Molecular Formula | C44H68O19 |
| Exact Mass | 900.43548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69iokaA90Jv |
|---|---|
| Name | OLEANDRIGENIN-BETA-GENTIOBIOSYL-ALPHA-L-CYMAROPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H68O19 |
| InChI | InChI=1S/C44H68O19/c1-19-39(63-41-38(53)36(51)34(49)29(62-41)18-57-40-37(52)35(50)33(48)28(16-45)61-40)26(55-5)14-31(58-19)60-23-8-10-42(3)22(13-23)6-7-25-24(42)9-11-43(4)32(21-12-30(47)56-17-21)27(59-20(2)46)15-44(25,43)54/h12,19,22-29,31-41,45,48-54H,6-11,13-18H2,1-5H3/t19-,22-,23+,24?,25?,26+,27+,28+,29+,31-,32+,33+,34+,35-,36-,37+,38+,39-,40+,41-,42+,43-,44+/m1/s1 |
| InChIKey | PKZLCDIEFSFXDK-OQXDCQFQSA-N |
| Literature Reference Author | T.YAMAUCHI,F.ABE,T.SANTISUK |
| Literature Reference Citation | PHYTOCHEM.,29,1961(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85048-K |
| Molecular Weight | 901.013 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU32229 |