| SpectraBase Compound ID | 9KEWKbpVRsK |
|---|---|
| InChI | InChI=1S/C62H100O24/c1-29(2)30(3)21-45(65)82-44-27-43-58(9)17-16-37(22-36(58)15-18-61(43,70)62(71)20-19-60(69,35(8)64)59(44,62)10)80-46-23-38(72-11)53(31(4)76-46)83-47-24-39(73-12)54(32(5)77-47)84-48-25-40(74-13)55(33(6)78-48)85-49-26-41(75-14)56(34(7)79-49)86-57-52(68)51(67)50(66)42(28-63)81-57/h15,21,29,31-34,37-44,46-57,63,66-71H,16-20,22-28H2,1-14H3/b30-21+/t31-,32+,33-,34-,37+,38+,39-,40-,41+,42-,43-,44-,46+,47-,48+,49+,50+,51+,52-,53-,54+,55-,56-,57+,58+,59-,60-,61+,62-/m1/s1 |
| InChIKey | SVKCWFDZGPCWRM-SQLLFEAHSA-N |
| Mol Weight | 1229.5 g/mol |
| Molecular Formula | C62H100O24 |
| Exact Mass | 1228.660454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRYCsZdRE3z |
|---|---|
| Name | CAUDATIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA- |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H100O24 |
| InChI | InChI=1S/C62H100O24/c1-29(2)30(3)21-45(65)82-44-27-43-58(9)17-16-37(22-36(58)15-18-61(43,70)62(71)20-19-60(69,35(8)64)59(44,62)10)80-46-23-38(72-11)53(31(4)76-46)83-47-24-39(73-12)54(32(5)77-47)84-48-25-40(74-13)55(33(6)78-48)85-49-26-41(75-14)56(34(7)79-49)86-57-52(68)51(67)50(66)42(28-63)81-57/h15,21,29,31-34,37-44,46-57,63,66-71H,16-20,22-28H2,1-14H3/b30-21+/t31-,32+,33-,34-,37+,38+,39-,40-,41+,42-,43-,44-,46+,47-,48+,49+,50+,51+,52-,53-,54+,55-,56-,57+,58+,59-,60-,61+,62-/m1/s1 |
| InChIKey | SVKCWFDZGPCWRM-SQLLFEAHSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,44,917(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00640-1 |
| Molecular Weight | 1229.462 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA334 |