| SpectraBase Compound ID | eXsl9qNWCO |
|---|---|
| InChI | InChI=1S/2C37H42O12/c2*1-18(38)46-25-15-24(40)36-17-45-32(43)33(25,3)23(36)14-26(48-31(42)20-9-7-6-8-10-20)35(5)29(36)28(41)30(47-19(2)39)34(4)22(21-11-12-44-16-21)13-27-37(34,35)49-27/h2*6-12,16,22-27,29-30,32,40,43H,13-15,17H2,1-5H3/t22-,23-,24-,25+,26+,27+,29-,30-,32+,33-,34+,35+,36+,37+;22-,23-,24-,25+,26+,27+,29-,30-,32-,33-,34+,35+,36+,37+/m00/s1 |
| InChIKey | WUWIEPGHKBRIQH-DCSVEZJKSA-N |
| Mol Weight | 1357.5 g/mol |
| Molecular Formula | C74H84O24 |
| Exact Mass | 1356.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IaoUDZdrG1d |
|---|---|
| Name | 7-BENZOYL-TOOSENDANIN;(29R/29S)-EPIMER;MIXTURE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H84O24 |
| InChI | InChI=1S/2C37H42O12/c2*1-18(38)46-25-15-24(40)36-17-45-32(43)33(25,3)23(36)14-26(48-31(42)20-9-7-6-8-10-20)35(5)29(36)28(41)30(47-19(2)39)34(4)22(21-11-12-44-16-21)13-27-37(34,35)49-27/h2*6-12,16,22-27,29-30,32,40,43H,13-15,17H2,1-5H3/t22-,23-,24-,25+,26+,27+,29-,30-,32+,33-,34+,35+,36+,37+;22-,23-,24-,25+,26+,27+,29-,30-,32-,33-,34+,35+,36+,37+/m00/s1 |
| InChIKey | WUWIEPGHKBRIQH-DCSVEZJKSA-N |
| Literature Reference Author | H.B.LIU,C.R.ZHANG,S.H.DONG,L.DONG,Y.WU,J.M.YUE |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1003(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1003 |
| Molecular Weight | 1357.467 g/mol |
| Source File Reference | UWIR3471 |