| SpectraBase Compound ID | BpOHTJn6GN |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-22-30(52)36(63-40-37(33(55)32(54)24(18-48)61-40)64-38-34(56)31(53)23(50)19-58-38)35(57)39(60-22)62-29-10-11-42(4)25(43(29,5)20-49)8-12-44(6)26(42)9-13-47-27-16-41(2,3)14-15-46(27,21-59-47)28(51)17-45(44,47)7/h9,13,22-40,48-57H,8,10-12,14-21H2,1-7H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,42+,43+,44-,45+,46-,47+/m1/s1 |
| InChIKey | IYPPVEBDQUKZPR-HMSYBSIJSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TZcasWC2Wi |
|---|---|
| Name | CHIKUSAIKOSIDE-I;REFERENCE-3 |
| Compound Number | S2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-22-30(52)36(63-40-37(33(55)32(54)24(18-48)61-40)64-38-34(56)31(53)23(50)19-58-38)35(57)39(60-22)62-29-10-11-42(4)25(43(29,5)20-49)8-12-44(6)26(42)9-13-47-27-16-41(2,3)14-15-46(27,21-59-47)28(51)17-45(44,47)7/h9,13,22-40,48-57H,8,10-12,14-21H2,1-7H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,42+,43+,44-,45+,46-,47+/m1/s1 |
| InChIKey | IYPPVEBDQUKZPR-HMSYBSIJSA-N |
| Literature Reference Author | H.SETO,N.OTAKE,S.Q.LUO,F.G.QIAN,G.Y.XU,S.L.PAN |
| Literature Reference Citation | AGR.BIOL.CHEM.,50,943(1986) |
| Literature Reference DOI | 10.1271/bbb1961.50.943 |
| Molecular Weight | 913.110 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR8141 |