| SpectraBase Compound ID | 6LruMou0ucX |
|---|---|
| InChI | InChI=1S/C43H72O13/c1-21-29(47)34(56-36-32(50)31(49)30(48)25(19-44)54-36)33(51)37(53-21)55-28-11-12-40(6)26(39(28,4)5)10-13-41(7)35(40)24(52-9)16-22-23-17-38(2,3)14-15-43(23,20-45)27(46)18-42(22,41)8/h16,21,23-37,44-51H,10-15,17-20H2,1-9H3/t21-,23+,24-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,40+,41-,42-,43-/m1/s1 |
| InChIKey | JVUSSFLOGJOFHV-BGYKETSFSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C43H72O13 |
| Exact Mass | 796.497292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YzqR9MJZhZ |
|---|---|
| Name | BFS-16;BUPLEUROSIDE-IX |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H72O13 |
| InChI | InChI=1S/C43H72O13/c1-21-29(47)34(56-36-32(50)31(49)30(48)25(19-44)54-36)33(51)37(53-21)55-28-11-12-40(6)26(39(28,4)5)10-13-41(7)35(40)24(52-9)16-22-23-17-38(2,3)14-15-43(23,20-45)27(46)18-42(22,41)8/h16,21,23-37,44-51H,10-15,17-20H2,1-9H3/t21-,23+,24-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,40+,41-,42-,43-/m1/s1 |
| InChIKey | JVUSSFLOGJOFHV-BGYKETSFSA-N |
| Literature Reference Author | Y.NAKAHARA,M.OKAWA,J.KINJO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1329(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1329 |
| Molecular Weight | 797.037 g/mol |
| Source File Reference | UWIR3685 |