| SpectraBase Compound ID | 3JMfjg5Tu5K |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-21-40(65-35-15-30(56-7)41(22(2)61-35)66-36-16-31(57-8)42(23(3)62-36)67-44-39(53)38(52)37(51)32(18-49)64-44)29(55-6)14-34(60-21)63-28-13-24-9-10-26-25(45(24,4)17-27(28)50)11-12-47-20-59-46(5)43(47)33(19-58-46)68-48(26,47)54/h9,21-23,25-44,49-54H,10-20H2,1-8H3/t21-,22-,23-,25?,26?,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 | QEXIVLBTMHDAMJ-JHWKUVAOSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHqbRBpOTld |
|---|---|
| Name | TYLOPHOSIDE-E;#6;2-ALPHA-HYDROXYHIRUNDIGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-SARMENTOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-21-40(65-35-15-30(56-7)41(22(2)61-35)66-36-16-31(57-8)42(23(3)62-36)67-44-39(53)38(52)37(51)32(18-49)64-44)29(55-6)14-34(60-21)63-28-13-24-9-10-26-25(45(24,4)17-27(28)50)11-12-47-20-59-46(5)43(47)33(19-58-46)68-48(26,47)54/h9,21-23,25-44,49-54H,10-20H2,1-8H3/t21-,22-,23-,25?,26?,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 | QEXIVLBTMHDAMJ-JHWKUVAOSA-N |
| Literature Reference Author | F.ABE,M.HIROKAWA,T.YAMAUCHI,K.HONDA,N.HAYASHI,R.NISHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1384(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1384 |
| Molecular Weight | 973.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8282 |