| SpectraBase Compound ID | 8vyuefjZqZE |
|---|---|
| InChI | InChI=1S/C42H72O20/c1-9-10-11-12-13-14-15-16-17-18-19-52-39-31(50)29(48)33(21(3)54-39)60-41-32(51)36(34(22(4)55-41)57-24(6)43)61-42-38(59-26(8)45)37(35(23(5)56-42)58-25(7)44)62-40-30(49)28(47)27(46)20(2)53-40/h20-23,27-42,46-51H,9-19H2,1-8H3/t20-,21+,22+,23-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38+,39-,40-,41+,42-/m0/s1 |
| InChIKey | QRFHSDNKBJHWKS-NBUMQVNXSA-N |
| Mol Weight | 897.0 g/mol |
| Molecular Formula | C42H72O20 |
| Exact Mass | 896.461695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iw26Nk0gMYz |
|---|---|
| Name | CLEISTETROSIDE-4 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O20 |
| InChI | InChI=1S/C42H72O20/c1-9-10-11-12-13-14-15-16-17-18-19-52-39-31(50)29(48)33(21(3)54-39)60-41-32(51)36(34(22(4)55-41)57-24(6)43)61-42-38(59-26(8)45)37(35(23(5)56-42)58-25(7)44)62-40-30(49)28(47)27(46)20(2)53-40/h20-23,27-42,46-51H,9-19H2,1-8H3/t20-,21+,22+,23-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38+,39-,40-,41+,42-/m0/s1 |
| InChIKey | QRFHSDNKBJHWKS-NBUMQVNXSA-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 | 897.022 g/mol |
| Solvent | C5D5N:CD3OD |
| Source File Reference | UWRU1625 |