| SpectraBase Compound ID | 80Hhltu5qxc |
|---|---|
| InChI | InChI=1S/C56H84O20/c1-27(57)35-18-21-56(63)54(35,7)41(73-51(61)34-14-12-13-15-36(34)58)26-40-53(6)19-17-33(22-32(53)16-20-55(40,56)62)72-42-23-37(64-8)47(29(3)68-42)74-43-24-38(65-9)48(30(4)69-43)75-44-25-39(66-10)49(31(5)70-44)76-52-46(60)50(67-11)45(59)28(2)71-52/h12-16,28-31,33,35,37-50,52,58-60,62-63H,17-26H2,1-11H3/t28?,29?,30?,31?,33-,35-,37-,38+,39-,40+,41+,42-,43+,44-,45-,46-,47+,48-,49+,50+,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | SGWRJZKYKAMPKM-DYQNGFKCSA-N |
| Mol Weight | 1077.3 g/mol |
| Molecular Formula | C56H84O20 |
| Exact Mass | 1076.555595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iS5pStiv9s |
|---|---|
| Name | #-14;12-O-SALICYLOYLLINEOLON-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H84O20 |
| InChI | InChI=1S/C56H84O20/c1-27(57)35-18-21-56(63)54(35,7)41(73-51(61)34-14-12-13-15-36(34)58)26-40-53(6)19-17-33(22-32(53)16-20-55(40,56)62)72-42-23-37(64-8)47(29(3)68-42)74-43-24-38(65-9)48(30(4)69-43)75-44-25-39(66-10)49(31(5)70-44)76-52-46(60)50(67-11)45(59)28(2)71-52/h12-16,28-31,33,35,37-50,52,58-60,62-63H,17-26H2,1-11H3/t28?,29?,30?,31?,33-,35-,37-,38+,39-,40+,41+,42-,43+,44-,45-,46-,47+,48-,49+,50+,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | SGWRJZKYKAMPKM-DYQNGFKCSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1077.271 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20270 |