| SpectraBase Compound ID | CHRbNTgZAYA |
|---|---|
| InChI | InChI=1S/C39H64O12/c1-19(21(3)16-48-36-35(33(46)30(44)17-49-36)51-37-34(47-6)32(45)29(43)18-50-37)7-8-20(2)25-15-28(42)31-23-14-27(41)26-13-22(40)9-11-38(26,4)24(23)10-12-39(25,31)5/h7-8,19-22,24-30,32-37,40-46H,9-18H2,1-6H3/b8-7+/t19-,20+,21-,22-,24?,25+,26?,27-,28+,29+,30+,32-,33-,34+,35+,36+,37-,38+,39+/m0/s1 |
| InChIKey | FMXQENJPAABQSP-JHDGTKESSA-N |
| Mol Weight | 724.9 g/mol |
| Molecular Formula | C39H64O12 |
| Exact Mass | 724.439777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aspjt6OqsT |
|---|---|
| Name | ACODONTASTEROSIDE-H |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H64O12 |
| InChI | InChI=1S/C39H64O12/c1-19(21(3)16-48-36-35(33(46)30(44)17-49-36)51-37-34(47-6)32(45)29(43)18-50-37)7-8-20(2)25-15-28(42)31-23-14-27(41)26-13-22(40)9-11-38(26,4)24(23)10-12-39(25,31)5/h7-8,19-22,24-30,32-37,40-46H,9-18H2,1-6H3/b8-7+/t19-,20+,21-,22-,24?,25+,26?,27-,28+,29+,30+,32-,33-,34+,35+,36+,37-,38+,39+/m0/s1 |
| InChIKey | FMXQENJPAABQSP-JHDGTKESSA-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 | 724.930 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU386 |