| SpectraBase Compound ID | 1g0Jqbvr0XD |
|---|---|
| InChI | InChI=1S/C45H66O16/c1-40(2)23-13-16-45(7)24(12-11-21-22-19-41(3,39(54)57-10)20-25(46)42(22,4)17-18-44(21,45)6)43(23,5)15-14-26(40)58-38-34(30(50)29(49)33(60-38)36(53)56-9)61-37-31(51)27(47)28(48)32(59-37)35(52)55-8/h11-12,23-24,26-34,37-38,47-51H,13-20H2,1-10H3/t23-,24+,26-,27-,28-,29-,30-,31+,32-,33-,34+,37-,38+,41+,42+,43-,44+,45+/m0/s1 |
| InChIKey | KZLJEVRTSSTWBP-RSZDJEGDSA-N |
| Mol Weight | 863.0 g/mol |
| Molecular Formula | C45H66O16 |
| Exact Mass | 862.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8yrBf3CZTRb |
|---|---|
| Name | YUNGANOSIDE-E2-TRIMETHYLESTER |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H66O16 |
| InChI | InChI=1S/C45H66O16/c1-40(2)23-13-16-45(7)24(12-11-21-22-19-41(3,39(54)57-10)20-25(46)42(22,4)17-18-44(21,45)6)43(23,5)15-14-26(40)58-38-34(30(50)29(49)33(60-38)36(53)56-9)61-37-31(51)27(47)28(48)32(59-37)35(52)55-8/h11-12,23-24,26-34,37-38,47-51H,13-20H2,1-10H3/t23-,24+,26-,27-,28-,29-,30-,31+,32-,33-,34+,37-,38+,41+,42+,43-,44+,45+/m0/s1 |
| InChIKey | KZLJEVRTSSTWBP-RSZDJEGDSA-N |
| Literature Reference Author | K.OHTANI,K.OGAWA,R.KASAI,C.R.YANG,K.YAMASAKI,J.ZHOU,O.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,31,1747(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83140-T |
| Molecular Weight | 863.009 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6017 |