| SpectraBase Compound ID | fRv0M2MfDh |
|---|---|
| InChI | InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27+,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1 |
| InChIKey | ZDZOTLJHXYCWBA-MQOKZWAMSA-N |
| Mol Weight | 807.9 g/mol |
| Molecular Formula | C43H53NO14 |
| Exact Mass | 807.346605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3aKAGvVmKLi |
|---|---|
| Name | IMPURITY-III;7-EPI-N-DEBENZOYL-N-TERT.-BUTOXYCARBONYL-10-DEACETYL-TAXOL |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H53NO14 |
| InChI | InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27+,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1 |
| InChIKey | ZDZOTLJHXYCWBA-MQOKZWAMSA-N |
| Literature Reference Author | R.V.DEV,J.M.BABU,K.VYAS,P.S.RAM,P.RAMACHANDRA,N.M.SEKHAR,D.N .M.REDDY,N.S.RAO |
| Literature Reference Citation | J.PHARM.BIOM.ANAL.,40,614(2006) |
| Literature Reference DOI | 10.1016/j.jpba.2005.10.037 |
| Molecular Weight | 807.892 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWDB32 |