| SpectraBase Compound ID | H69VWE4brZA |
|---|---|
| InChI | InChI=1S/C49H82O28/c1-19(9-7-11-21(3)16-67-49-43(77-47-39(65)35(61)29(55)23(5)71-47)41(33(59)27(15-51)73-49)75-45-37(63)31(57)25(53)18-69-45)8-6-10-20(2)12-13-66-48-42(76-46-38(64)34(60)28(54)22(4)70-46)40(32(58)26(14-50)72-48)74-44-36(62)30(56)24(52)17-68-44/h8,11-12,22-65H,6-7,9-10,13-18H2,1-5H3/b19-8+,20-12+,21-11+/t22-,23+,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?/m1/s1 |
| InChIKey | HXKUTXGDCDCFCG-KAJDJVAISA-N |
| Mol Weight | 1119.2 g/mol |
| Molecular Formula | C49H82O28 |
| Exact Mass | 1118.499262 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTX7aoxP1Dl |
|---|---|
| Name | PYISHIAUOSIDE-IVB |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H82O28 |
| InChI | InChI=1S/C49H82O28/c1-19(9-7-11-21(3)16-67-49-43(77-47-39(65)35(61)29(55)23(5)71-47)41(33(59)27(15-51)73-49)75-45-37(63)31(57)25(53)18-69-45)8-6-10-20(2)12-13-66-48-42(76-46-38(64)34(60)28(54)22(4)70-46)40(32(58)26(14-50)72-48)74-44-36(62)30(56)24(52)17-68-44/h8,11-12,22-65H,6-7,9-10,13-18H2,1-5H3/b19-8+,20-12+,21-11+/t22-,23+,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?/m1/s1 |
| InChIKey | HXKUTXGDCDCFCG-KAJDJVAISA-N |
| Literature Reference Author | W.H.WONG,R.KASAI,W.CHOSHI,Y.NAKAGAWA,K.MIZUTANI,K.OHTANI,O.T ANAKA |
| Literature Reference Citation | PHYTOCHEM.,30,2699(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85126-K |
| Molecular Weight | 1119.173 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30872 |