| SpectraBase Compound ID | D3oV9MvhY7e |
|---|---|
| InChI | InChI=1S/C43H67NO14/c1-11-13-14-16-19-23-31(47)54-35-33-32(27(4)34(35)55-37(48)26(3)12-2)36-43(52,42(10,51)38(49)56-36)29(25-41(33,9)57-28(5)45)53-30(46)22-20-17-15-18-21-24-44-39(50)58-40(6,7)8/h12,29,33-36,51-52H,11,13-25H2,1-10H3,(H,44,50)/b26-12-/t29-,33+,34-,35-,36-,41-,42+,43+/m0/s1 |
| InChIKey | UBVYXUIOTSADFC-NDPQYELISA-N |
| Mol Weight | 822.0 g/mol |
| Molecular Formula | C43H67NO14 |
| Exact Mass | 821.456156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EdH3GuCZgsq |
|---|---|
| Name | 8-O-(8-TERT.-BUTOXYCARBONYLAMINOOCTANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 13H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H67NO14 |
| InChI | InChI=1S/C43H67NO14/c1-11-13-14-16-19-23-31(47)54-35-33-32(27(4)34(35)55-37(48)26(3)12-2)36-43(52,42(10,51)38(49)56-36)29(25-41(33,9)57-28(5)45)53-30(46)22-20-17-15-18-21-24-44-39(50)58-40(6,7)8/h12,29,33-36,51-52H,11,13-25H2,1-10H3,(H,44,50)/b26-12-/t29-,33+,34-,35-,36-,41-,42+,43+/m0/s1 |
| InChIKey | UBVYXUIOTSADFC-NDPQYELISA-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 | 822.003 g/mol |
| Sample ID | 45250 |
| Solvent | CDCl3 |