| SpectraBase Compound ID | vxOvbQeM5B |
|---|---|
| InChI | InChI=1S/C41H66O13/c1-20-10-15-41(35(48)49)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-34-31(27(44)22(43)19-51-34)54-33-30(47)29(46)28(45)23(18-42)52-33/h8,20,22-34,42-47,50H,9-19H2,1-7H3,(H,48,49)/t20-,22?,23+,24?,25?,26-,27?,28+,29-,30+,31?,32?,33-,34?,37-,38+,39+,40+,41-/m0/s1 |
| InChIKey | WBDDWIKJZNNKBQ-OVIIHNCWSA-N |
| Mol Weight | 767.0 g/mol |
| Molecular Formula | C41H66O13 |
| Exact Mass | 766.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7oqECpONkfT |
|---|---|
| Name | ILEXSAPONIN-B-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O13 |
| InChI | InChI=1S/C41H66O13/c1-20-10-15-41(35(48)49)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-34-31(27(44)22(43)19-51-34)54-33-30(47)29(46)28(45)23(18-42)52-33/h8,20,22-34,42-47,50H,9-19H2,1-7H3,(H,48,49)/t20-,22?,23+,24?,25?,26-,27?,28+,29-,30+,31?,32?,33-,34?,37-,38+,39+,40+,41-/m0/s1 |
| InChIKey | WBDDWIKJZNNKBQ-OVIIHNCWSA-N |
| Literature Reference Author | K.HIDAKA,M.ITO,Y.MATSUDA,H.KOHDA,K.YAMASAKI,J.YAMAHARA,T.CHI SAKA,Y.KAWAKAMI,T.SA |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,524(1987) |
| Literature Reference DOI | 10.1248/cpb.35.524 |
| Molecular Weight | 766.967 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK244 |