| SpectraBase Compound ID | 7y99pLhxljZ |
|---|---|
| InChI | InChI=1S/C56H90O25/c1-24-45(32(60)19-38(71-24)76-31-13-14-52(7)30(18-31)12-15-55(66)36(52)22-37(75-29(6)59)53(8)54(65,28(5)58)16-17-56(53,55)67)78-39-20-33(68-9)46(25(2)72-39)79-40-21-34(69-10)47(26(3)73-40)80-51-44(64)49(70-11)48(27(4)74-51)81-50-43(63)42(62)41(61)35(23-57)77-50/h12,24-27,31-51,57,60-67H,13-23H2,1-11H3/t24-,25-,26+,27-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40-,41+,42-,43+,44-,45-,46-,47+,48-,49-,50-,51+,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | NYWHUHXPEHCMFY-HFJSSXOVSA-N |
| Mol Weight | 1163.3 g/mol |
| Molecular Formula | C56H90O25 |
| Exact Mass | 1162.577118 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWGa5T36g50 |
|---|---|
| Name | METAPLEXIGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4) |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O25 |
| InChI | InChI=1S/C56H90O25/c1-24-45(32(60)19-38(71-24)76-31-13-14-52(7)30(18-31)12-15-55(66)36(52)22-37(75-29(6)59)53(8)54(65,28(5)58)16-17-56(53,55)67)78-39-20-33(68-9)46(25(2)72-39)79-40-21-34(69-10)47(26(3)73-40)80-51-44(64)49(70-11)48(27(4)74-51)81-50-43(63)42(62)41(61)35(23-57)77-50/h12,24-27,31-51,57,60-67H,13-23H2,1-11H3/t24-,25-,26+,27-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40-,41+,42-,43+,44-,45-,46-,47+,48-,49-,50-,51+,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | NYWHUHXPEHCMFY-HFJSSXOVSA-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 | 1163.316 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4814 |