| SpectraBase Compound ID | JV1W7RmsqCd |
|---|---|
| InChI | InChI=1S/C48H78O19/c1-21(49)28-16-34(52)48(56)46(28,7)33(51)20-32-45(6)13-12-27(15-26(45)11-14-47(32,48)55)64-35-17-29(50)40(23(3)60-35)65-36-18-30(57-8)41(24(4)61-36)66-37-19-31(58-9)42(25(5)62-37)67-44-39(54)43(59-10)38(53)22(2)63-44/h11,22-25,27-44,50-56H,12-20H2,1-10H3/t22-,23-,24-,25+,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | DGYOPMWSCDCIPI-BLOKWCJLSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C48H78O19 |
| Exact Mass | 958.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DSHRzESM0tS |
|---|---|
| Name | 15-BETA-HYDROXYISOLINEOLON-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOP |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O19 |
| InChI | InChI=1S/C48H78O19/c1-21(49)28-16-34(52)48(56)46(28,7)33(51)20-32-45(6)13-12-27(15-26(45)11-14-47(32,48)55)64-35-17-29(50)40(23(3)60-35)65-36-18-30(57-8)41(24(4)61-36)66-37-19-31(58-9)42(25(5)62-37)67-44-39(54)43(59-10)38(53)22(2)63-44/h11,22-25,27-44,50-56H,12-20H2,1-10H3/t22-,23-,24-,25+,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | DGYOPMWSCDCIPI-BLOKWCJLSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,99(2000) |
| Literature Reference DOI | 10.1248/cpb.48.99 |
| Molecular Weight | 959.136 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4813 |