![ISOLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSYL-(1->4)-CYMAROPYRANOSIDE]](/api/spectrum/KZdBJpbCGma/structure.png?h=300&w=458 "ISOLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSYL-(1->4)-CYMAROPYRANOSIDE]")
| SpectraBase Compound ID | 8BNu60p2PtC |
|---|---|
| InChI | InChI=1S/C48H78O17/c1-23(49)30-13-16-48(54)46(30,7)36(51)22-35-45(6)14-12-29(17-28(45)11-15-47(35,48)53)62-38-20-33(56-9)44(26(4)60-38)65-40-21-34(57-10)43(27(5)61-40)64-37-18-31(50)42(25(3)59-37)63-39-19-32(55-8)41(52)24(2)58-39/h11,24-27,29-44,50-54H,12-22H2,1-10H3/t24-,25-,26+,27-,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43-,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | OGRJAJSHHHYREO-UVHZMSRPSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C48H78O17 |
| Exact Mass | 926.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZdBJpbCGma |
|---|---|
| Name | ISOLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSYL-(1->4)-CYMAROPYRANOSIDE] |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O17 |
| InChI | InChI=1S/C48H78O17/c1-23(49)30-13-16-48(54)46(30,7)36(51)22-35-45(6)14-12-29(17-28(45)11-15-47(35,48)53)62-38-20-33(56-9)44(26(4)60-38)65-40-21-34(57-10)43(27(5)61-40)64-37-18-31(50)42(25(3)59-37)63-39-19-32(55-8)41(52)24(2)58-39/h11,24-27,29-44,50-54H,12-22H2,1-10H3/t24-,25-,26+,27-,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43-,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | OGRJAJSHHHYREO-UVHZMSRPSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,53,485(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00560-9 |
| Molecular Weight | 927.137 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2050 |