| SpectraBase Compound ID | 3e4dKqc5YLZ |
|---|---|
| InChI | InChI=1S/C40H68O17S/c1-19(2)21(11-14-53-36-34(32(47)26(44)17-54-36)56-37-33(52-6)31(46)25(43)18-55-37)8-7-20(3)22-15-24(42)35-38(22,4)13-10-28-39(5)12-9-23(41)30(45)29(39)27(16-40(28,35)48)57-58(49,50)51/h11,19-20,22-37,41-48H,7-10,12-18H2,1-6H3,(H,49,50,51)/b21-11-/t20?,22-,23+,24-,25+,26+,27+,28?,29?,30+,31-,32-,33+,34+,35?,36+,37-,38-,39-,40+/m1/s1 |
| InChIKey | YCIMIGHESNXSAK-IDXFATCQSA-N |
| Mol Weight | 853.0 g/mol |
| Molecular Formula | C40H68O17S |
| Exact Mass | 852.417722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSX9OT50zbH |
|---|---|
| Name | ACODONTASTEROSIDE-C |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68O17S |
| InChI | InChI=1S/C40H68O17S/c1-19(2)21(11-14-53-36-34(32(47)26(44)17-54-36)56-37-33(52-6)31(46)25(43)18-55-37)8-7-20(3)22-15-24(42)35-38(22,4)13-10-28-39(5)12-9-23(41)30(45)29(39)27(16-40(28,35)48)57-58(49,50)51/h11,19-20,22-37,41-48H,7-10,12-18H2,1-6H3,(H,49,50,51)/b21-11-/t20?,22-,23+,24-,25+,26+,27+,28?,29?,30+,31-,32-,33+,34+,35?,36+,37-,38-,39-,40+/m1/s1 |
| InChIKey | YCIMIGHESNXSAK-IDXFATCQSA-N |
| Literature Reference Author | S.DEMARINO,M.IORIZZI,F.ZOLLO,L.MINALE,C.D.AMSLER,B.J.BAKER,J .B.MCCLINTOCK |
| Literature Reference Citation | J.NAT.PROD.,60,959(1997) |
| Literature Reference DOI | 10.1021/np9700578 |
| Molecular Weight | 853.030 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU383 |