SpectraBase Compound ID | 1FV0aqmBa9p |
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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-TXTBWINJSA-N |
Mol Weight | 628.7 g/mol |
Molecular Formula | C33H40O12 |
Exact Mass | 628.251977 g/mol |
SpectraBase Spectrum ID | BqAq31MA8s3 |
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Name | 7-EPI-13-ACETYL-BACCATIN-III |
Compound Number | 16 |
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-TXTBWINJSA-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 | UWVN20233 |