| SpectraBase Compound ID | L2f7KlrLLyK |
|---|---|
| InChI | InChI=1S/C33H40O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-26,28,37,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,28-,31+,32-,33+/m0/s1 |
| InChIKey | CIUIETSAKZWPII-UVDWMJHKSA-N |
| Mol Weight | 628.7 g/mol |
| Molecular Formula | C33H40O12 |
| Exact Mass | 628.251977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Bkpj2LRvmit |
|---|---|
| Name | 13-ACETYL-BACCATIN-III |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O12 |
| InChI | InChI=1S/C33H40O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-26,28,37,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,28-,31+,32-,33+/m0/s1 |
| InChIKey | CIUIETSAKZWPII-UVDWMJHKSA-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 | 628.673 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20234 |