| SpectraBase Compound ID | LjhCOgKVUCD |
|---|---|
| InChI | InChI=1S/C52H80O18/c1-12-24(3)43(63)69-40-41(70-44(64)25(4)13-2)52(23-54)27(20-47(40,5)6)26-14-15-30-49(9)18-17-32(48(7,8)29(49)16-19-50(30,10)51(26,11)21-31(52)55)66-46-39(36(59)35(58)38(67-46)42(61)62)68-45-37(60)34(57)33(56)28(22-53)65-45/h12-14,27-41,45-46,53-60H,15-23H2,1-11H3,(H,61,62)/b24-12-,25-13-/t27-,28+,29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39+,40-,41-,45-,46+,49-,50+,51+,52-/m0/s1 |
| InChIKey | QTDFVKLHPCWWRP-ZIZUJDOHSA-N |
| Mol Weight | 993.2 g/mol |
| Molecular Formula | C52H80O18 |
| Exact Mass | 992.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Ko5tOkSHzt |
|---|---|
| Name | 3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-21-BETA,22-ALPHA-DI-O-ANGELOYL-BARRINGTOGENOL-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H80O18 |
| InChI | InChI=1S/C52H80O18/c1-12-24(3)43(63)69-40-41(70-44(64)25(4)13-2)52(23-54)27(20-47(40,5)6)26-14-15-30-49(9)18-17-32(48(7,8)29(49)16-19-50(30,10)51(26,11)21-31(52)55)66-46-39(36(59)35(58)38(67-46)42(61)62)68-45-37(60)34(57)33(56)28(22-53)65-45/h12-14,27-41,45-46,53-60H,15-23H2,1-11H3,(H,61,62)/b24-12-,25-13-/t27-,28+,29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39+,40-,41-,45-,46+,49-,50+,51+,52-/m0/s1 |
| InChIKey | QTDFVKLHPCWWRP-ZIZUJDOHSA-N |
| Literature Reference Author | L.VOUTQUENNE,P.GUINOT,C.FROISSARD,O.THOISON,M.LITAUDON,C.LAV AUD |
| Literature Reference Citation | PHYTOCHEM.,66,825(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.02.009 |
| Molecular Weight | 993.196 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32545 |