| SpectraBase Compound ID | 1eyNo0MfBxb |
|---|---|
| InChI | InChI=1S/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h7-8,18-36,40-48H,9-17H2,1-6H3/b8-7+/t18-,19?,20-,21+,22-,23+,24-,25+,26+,27?,28?,29-,30-,31-,32+,33+,34?,35+,36-,37+,38+,39-/m0/s1 |
| InChIKey | XCIMMEILEFDKKX-GMFVFTSHSA-N |
| Mol Weight | 758.9 g/mol |
| Molecular Formula | C39H66O14 |
| Exact Mass | 758.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLyVfHVCSNR |
|---|---|
| Name | ACODONTASTEROISIDE-E |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H66O14 |
| InChI | InChI=1S/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h7-8,18-36,40-48H,9-17H2,1-6H3/b8-7+/t18-,19?,20-,21+,22-,23+,24-,25+,26+,27?,28?,29-,30-,31-,32+,33+,34?,35+,36-,37+,38+,39-/m0/s1 |
| InChIKey | XCIMMEILEFDKKX-GMFVFTSHSA-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 | 758.945 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU384 |