![8-O-(12-[L-LEUCINOYLAMINO]-DODECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN](/api/spectrum/KJxwRr8U3Ej/structure.png?h=300&w=458 "8-O-(12-[L-LEUCINOYLAMINO]-DODECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN")
| SpectraBase Compound ID | DWqhWDQMIcd |
|---|---|
| InChI | InChI=1S/C48H78N2O13/c1-10-12-13-19-22-26-37(53)60-41-39-38(32(6)40(41)61-44(55)31(5)11-2)42-48(58,47(9,57)45(56)62-42)35(29-46(39,8)63-33(7)51)59-36(52)25-23-20-17-15-14-16-18-21-24-27-50-43(54)34(49)28-30(3)4/h11,30,34-35,39-42,57-58H,10,12-29,49H2,1-9H3,(H,50,54)/b31-11-/t34-,35-,39+,40-,41-,42-,46-,47+,48+/m0/s1 |
| InChIKey | WMHPWKUSSQBIKH-BWRGIVKHSA-N |
| Mol Weight | 891.2 g/mol |
| Molecular Formula | C48H78N2O13 |
| Exact Mass | 890.550391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KJxwRr8U3Ej |
|---|---|
| Name | 8-O-(12-[L-LEUCINOYLAMINO]-DODECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 7L |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78N2O13 |
| InChI | InChI=1S/C48H78N2O13/c1-10-12-13-19-22-26-37(53)60-41-39-38(32(6)40(41)61-44(55)31(5)11-2)42-48(58,47(9,57)45(56)62-42)35(29-46(39,8)63-33(7)51)59-36(52)25-23-20-17-15-14-16-18-21-24-27-50-43(54)34(49)28-30(3)4/h11,30,34-35,39-42,57-58H,10,12-29,49H2,1-9H3,(H,50,54)/b31-11-/t34-,35-,39+,40-,41-,42-,46-,47+,48+/m0/s1 |
| InChIKey | WMHPWKUSSQBIKH-BWRGIVKHSA-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 | 891.153 g/mol |
| Sample ID | 45269 |
| Solvent | CDCl3 |