| SpectraBase Compound ID | AflALPRnzXX |
|---|---|
| InChI | InChI=1S/C51H82O22/c1-20-31-28(72-51(20)14-13-48(4,73-51)19-64-44-38(60)37(59)34(56)29(17-52)68-44)16-27-25-8-7-23-15-24(9-11-49(23,5)26(25)10-12-50(27,31)6)67-47-43(71-46-40(62)36(58)33(55)22(3)66-46)41(63)42(30(18-53)69-47)70-45-39(61)35(57)32(54)21(2)65-45/h7,20-22,24-47,52-63H,8-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28-,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39+,40+,41-,42+,43+,44-,45-,46-,47+,48+,49-,50-,51-/m0/s1 |
| InChIKey | CAQVTBKPDXKPJU-ZVKOKMNCSA-N |
| Mol Weight | 1047.2 g/mol |
| Molecular Formula | C51H82O22 |
| Exact Mass | 1046.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tOpVUyzNEr |
|---|---|
| Name | 26-O-BETA-D-GLUCOPYRANOSYL-NUATIGENIN-3-O-BETA-CHACOTRIOSID=ACULEATISID-A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O22 |
| InChI | InChI=1S/C51H82O22/c1-20-31-28(72-51(20)14-13-48(4,73-51)19-64-44-38(60)37(59)34(56)29(17-52)68-44)16-27-25-8-7-23-15-24(9-11-49(23,5)26(25)10-12-50(27,31)6)67-47-43(71-46-40(62)36(58)33(55)22(3)66-46)41(63)42(30(18-53)69-47)70-45-39(61)35(57)32(54)21(2)65-45/h7,20-22,24-47,52-63H,8-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28-,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39+,40+,41-,42+,43+,44-,45-,46-,47+,48+,49-,50-,51-/m0/s1 |
| InChIKey | CAQVTBKPDXKPJU-ZVKOKMNCSA-N |
| Literature Reference Author | R.SAIKO,C.FUKE,K.MURAKAMI,T.NOHARA,T.TOMIMATSU |
| Literature Reference Citation | PHYTOCHEM.,22,733(1983) |
| Literature Reference DOI | 10.1016/S0031-9422(00)86972-1 |
| Molecular Weight | 1047.199 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW17054 |