| SpectraBase Compound ID | 8L7cWakDqHp |
|---|---|
| InChI | InChI=1S/C47H74O15/c1-11-22(2)39(57)60-30-20-42(4,5)18-25-24-12-13-27-44(8)16-15-29(61-41-36(54)33(51)34(52)37(62-41)38(55)56)43(6,7)26(44)14-17-45(27,9)46(24,10)19-28(48)47(25,30)21-58-40-35(53)32(50)31(49)23(3)59-40/h11-12,23,25-37,40-41,48-54H,13-21H2,1-10H3,(H,55,56)/b22-11+/t23-,25+,26?,27?,28+,29+,30+,31-,32+,33+,34+,35+,36-,37+,40+,41-,44+,45-,46-,47+/m1/s1 |
| InChIKey | IBHGIGJKGXLIJQ-BTLBNNLRSA-N |
| Mol Weight | 879.1 g/mol |
| Molecular Formula | C47H74O15 |
| Exact Mass | 878.502772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oFJO36y3m1 |
|---|---|
| Name | ALTERNOSIDE-XVII;CHICHIPEGENIN-22-O-TIGLOYL-3-O-BETA-D-GLUCURONOPYRANOSYL-28-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O15 |
| InChI | InChI=1S/C47H74O15/c1-11-22(2)39(57)60-30-20-42(4,5)18-25-24-12-13-27-44(8)16-15-29(61-41-36(54)33(51)34(52)37(62-41)38(55)56)43(6,7)26(44)14-17-45(27,9)46(24,10)19-28(48)47(25,30)21-58-40-35(53)32(50)31(49)23(3)59-40/h11-12,23,25-37,40-41,48-54H,13-21H2,1-10H3,(H,55,56)/b22-11+/t23-,25+,26?,27?,28+,29+,30+,31-,32+,33+,34+,35+,36-,37+,40+,41-,44+,45-,46-,47+/m1/s1 |
| InChIKey | IBHGIGJKGXLIJQ-BTLBNNLRSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.TAKAHASHI,K.MATSUCHIKA,S.ARIHARA,H.C.CHANG,J.D .WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1598(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1598 |
| Molecular Weight | 879.096 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8394 |