| SpectraBase Compound ID | 58cp8YZtuLV |
|---|---|
| InChI | InChI=1S/C39H68O14/c1-18(2)20(10-13-50-36-33(31(47)26(44)17-52-36)53-35-32(48)30(46)25(43)16-51-35)7-6-19(3)21-14-23(41)34-37(21,4)12-9-27-38(5)11-8-22(40)29(45)28(38)24(42)15-39(27,34)49/h18-36,40-49H,6-17H2,1-5H3/t19?,20-,21+,22-,23+,24-,25-,26-,27?,28?,29-,30+,31+,32-,33-,34?,35+,36-,37+,38+,39-/m0/s1 |
| InChIKey | AVXRLJZQHTXQHK-NNFMGZLMSA-N |
| Mol Weight | 761.0 g/mol |
| Molecular Formula | C39H68O14 |
| Exact Mass | 760.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ikPpy4hqT3 |
|---|---|
| Name | ACODONTASTEROSIDE-D |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H68O14 |
| InChI | InChI=1S/C39H68O14/c1-18(2)20(10-13-50-36-33(31(47)26(44)17-52-36)53-35-32(48)30(46)25(43)16-51-35)7-6-19(3)21-14-23(41)34-37(21,4)12-9-27-38(5)11-8-22(40)29(45)28(38)24(42)15-39(27,34)49/h18-36,40-49H,6-17H2,1-5H3/t19?,20-,21+,22-,23+,24-,25-,26-,27?,28?,29-,30+,31+,32-,33-,34?,35+,36-,37+,38+,39-/m0/s1 |
| InChIKey | AVXRLJZQHTXQHK-NNFMGZLMSA-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 | 760.961 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU389 |