| SpectraBase Compound ID | 9QvDHLYobFj |
|---|---|
| InChI | InChI=1S/C40H48O12/c1-22-28(49-23(2)41)19-40(46)35(51-36(45)27-16-12-9-13-17-27)33-38(7,29(44)18-30-39(33,21-48-30)52-25(4)43)34(47-20-26-14-10-8-11-15-26)32(50-24(3)42)31(22)37(40,5)6/h8-17,28-30,32-35,44,46H,18-21H2,1-7H3/t28-,29-,30+,32+,33-,34-,35-,38+,39-,40+/m0/s1 |
| InChIKey | OMKUWCATJUNNNV-NRMRFSIPSA-N |
| Mol Weight | 720.8 g/mol |
| Molecular Formula | C40H48O12 |
| Exact Mass | 720.314577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMdtnasRR6A |
|---|---|
| Name | 9-BENZYLOXY-13-ACETYL-BACCATIN-III |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H48O12 |
| InChI | InChI=1S/C40H48O12/c1-22-28(49-23(2)41)19-40(46)35(51-36(45)27-16-12-9-13-17-27)33-38(7,29(44)18-30-39(33,21-48-30)52-25(4)43)34(47-20-26-14-10-8-11-15-26)32(50-24(3)42)31(22)37(40,5)6/h8-17,28-30,32-35,44,46H,18-21H2,1-7H3/t28-,29-,30+,32+,33-,34-,35-,38+,39-,40+/m0/s1 |
| InChIKey | OMKUWCATJUNNNV-NRMRFSIPSA-N |
| Literature Reference Author | A.NIKOLAKAKIS,G.CARON,A.CHERESTES,F.SAURIOL,O.MAMER,L.O.ZAMI R |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,1269(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00056-0 |
| Molecular Weight | 720.814 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20226 |