| SpectraBase Compound ID | B2RdVeWYQ3N |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1 |
| InChIKey | WRYJYFCCMSVEPQ-MNIDVGFKSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lae1Nxi3c5e |
|---|---|
| Name | BFS-11;SAIKOSAPONIN-B1 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1 |
| InChIKey | WRYJYFCCMSVEPQ-MNIDVGFKSA-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 | 780.994 g/mol |
| Source File Reference | UWIR3687 |