| SpectraBase Compound ID | HI2wZ5Pc4GO |
|---|---|
| InChI | InChI=1S/C50H86O28/c1-19(10-8-12-21(3)17-68-50-44(78-48-40(66)36(62)30(56)24(6)72-48)41(32(58)27(16-52)74-50)75-45-37(63)31(57)25(53)18-69-45)9-7-11-20(2)13-14-67-49-43(77-47-39(65)35(61)29(55)23(5)71-47)42(33(59)26(15-51)73-49)76-46-38(64)34(60)28(54)22(4)70-46/h9,13,21-66H,7-8,10-12,14-18H2,1-6H3/b19-9+,20-13+/t21-,22-,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?,50?/m0/s1 |
| InChIKey | XENWZCCFCCBVBW-WUJCPHETSA-N |
| Mol Weight | 1135.2 g/mol |
| Molecular Formula | C50H86O28 |
| Exact Mass | 1134.530562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tzEKmjoaYC |
|---|---|
| Name | PYISHIAUOSIDE-IIIA |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H86O28 |
| InChI | InChI=1S/C50H86O28/c1-19(10-8-12-21(3)17-68-50-44(78-48-40(66)36(62)30(56)24(6)72-48)41(32(58)27(16-52)74-50)75-45-37(63)31(57)25(53)18-69-45)9-7-11-20(2)13-14-67-49-43(77-47-39(65)35(61)29(55)23(5)71-47)42(33(59)26(15-51)73-49)76-46-38(64)34(60)28(54)22(4)70-46/h9,13,21-66H,7-8,10-12,14-18H2,1-6H3/b19-9+,20-13+/t21-,22-,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?,50?/m0/s1 |
| InChIKey | XENWZCCFCCBVBW-WUJCPHETSA-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 | 1135.216 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30874 |