| SpectraBase Compound ID | COWQsk21te4 |
|---|---|
| InChI | InChI=1S/C49H53NO15/c1-26-33(63-45(58)39(62-28(3)52)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,34(54)23-35-48(40,25-60-35)65-29(4)53)41(55)38(61-27(2)51)36(26)46(49,5)6/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56) |
| InChIKey | IHVCSECZNFZVKP-UHFFFAOYSA-N |
| Mol Weight | 896.0 g/mol |
| Molecular Formula | C49H53NO15 |
| Exact Mass | 895.34152 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fw68SgSVaKe |
|---|---|
| Name | 2'-ACETYL-7-EPI-TAXOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H53NO15 |
| InChI | InChI=1S/C49H53NO15/c1-26-33(63-45(58)39(62-28(3)52)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,34(54)23-35-48(40,25-60-35)65-29(4)53)41(55)38(61-27(2)51)36(26)46(49,5)6/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56) |
| InChIKey | IHVCSECZNFZVKP-UHFFFAOYSA-N |
| Literature Reference Author | J.ZHANG,F.SAURIOL,O.MAMER,L.O.ZAMIR |
| Literature Reference Citation | J.NAT.PROD.,63,929(2000) |
| Literature Reference DOI | 10.1021/np000053u |
| Molecular Weight | 895.958 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8544 |