| SpectraBase Compound ID | 7vgFNHfmu3w |
|---|---|
| InChI | InChI=1S/C44H74O21/c1-10-11-12-13-14-15-16-17-18-19-20-54-41-32(52)31(51)34(22(3)56-41)63-42-33(53)37(35(23(4)57-42)59-25(6)45)64-44-40(62-28(9)48)39(36(24(5)58-44)60-26(7)46)65-43-38(61-27(8)47)30(50)29(49)21(2)55-43/h21-24,29-44,49-53H,10-20H2,1-9H3/t21-,22+,23+,24-,29-,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42+,43-,44-/m0/s1 |
| InChIKey | AURVMVHBKCBQPV-LMUPOTJGSA-N |
| Mol Weight | 939.1 g/mol |
| Molecular Formula | C44H74O21 |
| Exact Mass | 938.472259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rQy66Ts60W |
|---|---|
| Name | CLEISTETROSIDE-3 |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H74O21 |
| InChI | InChI=1S/C44H74O21/c1-10-11-12-13-14-15-16-17-18-19-20-54-41-32(52)31(51)34(22(3)56-41)63-42-33(53)37(35(23(4)57-42)59-25(6)45)64-44-40(62-28(9)48)39(36(24(5)58-44)60-26(7)46)65-43-38(61-27(8)47)30(50)29(49)21(2)55-43/h21-24,29-44,49-53H,10-20H2,1-9H3/t21-,22+,23+,24-,29-,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42+,43-,44-/m0/s1 |
| InChIKey | AURVMVHBKCBQPV-LMUPOTJGSA-N |
| Literature Reference Author | V.SEIDEL,F.BAILLEUL,P.G.WATERMAN |
| Literature Reference Citation | J.NAT.PROD.,63,6(2000) |
| Literature Reference DOI | 10.1021/np9901478 |
| Molecular Weight | 939.059 g/mol |
| Solvent | C5D5N:CD3OD |
| Source File Reference | UWRU1624 |