| SpectraBase Compound ID | J4CfFaj8MpD |
|---|---|
| InChI | InChI=1S/C39H44O19/c1-17-28(47)33(54-25(45)10-5-18-2-7-20(42)8-3-18)34(55-26(46)11-6-19-4-9-22(43)23(44)14-19)38(52-17)56-32-21-12-13-51-36(27(21)39(16-41)35(32)58-39)57-37-31(50)30(49)29(48)24(15-40)53-37/h2-14,17,21,24,27-38,40-44,47-50H,15-16H2,1H3/b10-5+,11-6+/t17-,21?,24+,27?,28-,29+,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-/m1/s1 |
| InChIKey | YXUCGSWICJRJNK-YUZJYDMRSA-N |
| Mol Weight | 816.8 g/mol |
| Molecular Formula | C39H44O19 |
| Exact Mass | 816.247679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTi5HM5WBXu |
|---|---|
| Name | PREMNOSIDE_B |
| Compound Number | 101 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H44O19 |
| InChI | InChI=1S/C39H44O19/c1-17-28(47)33(54-25(45)10-5-18-2-7-20(42)8-3-18)34(55-26(46)11-6-19-4-9-22(43)23(44)14-19)38(52-17)56-32-21-12-13-51-36(27(21)39(16-41)35(32)58-39)57-37-31(50)30(49)29(48)24(15-40)53-37/h2-14,17,21,24,27-38,40-44,47-50H,15-16H2,1H3/b10-5+,11-6+/t17-,21?,24+,27?,28-,29+,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-/m1/s1 |
| InChIKey | YXUCGSWICJRJNK-YUZJYDMRSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 816.767 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16094 |