| SpectraBase Compound ID | 4GWu26s4BLk |
|---|---|
| InChI | InChI=1S/C46H73NO14/c1-11-13-14-19-22-26-34(50)57-38-36-35(30(4)37(38)58-40(51)29(3)12-2)39-46(55,45(10,54)41(52)59-39)32(28-44(36,9)60-31(5)48)56-33(49)25-23-20-17-15-16-18-21-24-27-47-42(53)61-43(6,7)8/h12,32,36-39,54-55H,11,13-28H2,1-10H3,(H,47,53)/b29-12-/t32-,36+,37-,38-,39-,44-,45+,46+/m0/s1 |
| InChIKey | JIJOVFLQFRLLIO-IYDJQFJMSA-N |
| Mol Weight | 864.1 g/mol |
| Molecular Formula | C46H73NO14 |
| Exact Mass | 863.503106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4ogvWrZszL |
|---|---|
| Name | 8-O-(11-TERT.-BUTOXYCARBONYLAMINOUNDECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 13I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H73NO14 |
| InChI | InChI=1S/C46H73NO14/c1-11-13-14-19-22-26-34(50)57-38-36-35(30(4)37(38)58-40(51)29(3)12-2)39-46(55,45(10,54)41(52)59-39)32(28-44(36,9)60-31(5)48)56-33(49)25-23-20-17-15-16-18-21-24-27-47-42(53)61-43(6,7)8/h12,32,36-39,54-55H,11,13-28H2,1-10H3,(H,47,53)/b29-12-/t32-,36+,37-,38-,39-,44-,45+,46+/m0/s1 |
| InChIKey | JIJOVFLQFRLLIO-IYDJQFJMSA-N |
| Literature Reference Author | C.M.JAKOBSEN,S.R.DENMEADE,J.T.ISAACS,A.GADY,C.E.OLSEN,S.B.CH RISTENSEN |
| Literature Reference Citation | J.MED.CHEM.,44,4696(2001) |
| Literature Reference DOI | 10.1021/jm010985a |
| Molecular Weight | 864.084 g/mol |
| Sample ID | 45251 |
| Solvent | CDCl3 |