| SpectraBase Compound ID | JH2ldR0G9Hw |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-22(49)29-13-16-48(55)46(29,7)34(51)21-33-45(6)14-12-28(17-27(45)11-15-47(33,48)54)63-35-18-30(50)40(24(3)59-35)64-36-19-31(56-8)41(25(4)60-36)65-37-20-32(57-9)42(26(5)61-37)66-44-39(53)43(58-10)38(52)23(2)62-44/h11,23-26,28-44,50-55H,12-21H2,1-10H3/t23-,24-,25-,26+,28-,29-,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | IYMUDNGCGSOKTA-JQSZMRRBSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C48H78O18 |
| Exact Mass | 942.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnUBSyV3XFj |
|---|---|
| Name | LINEOLON-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-22(49)29-13-16-48(55)46(29,7)34(51)21-33-45(6)14-12-28(17-27(45)11-15-47(33,48)54)63-35-18-30(50)40(24(3)59-35)64-36-19-31(56-8)41(25(4)60-36)65-37-20-32(57-9)42(26(5)61-37)66-44-39(53)43(58-10)38(52)23(2)62-44/h11,23-26,28-44,50-55H,12-21H2,1-10H3/t23-,24-,25-,26+,28-,29-,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | IYMUDNGCGSOKTA-JQSZMRRBSA-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 | 943.137 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4811 |