![8-O-(6-[L-LEUCINOYLAMINO]-HEXANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN](/api/spectrum/6apW9DEk0mt/structure.png?h=300&w=458 "8-O-(6-[L-LEUCINOYLAMINO]-HEXANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN")
| SpectraBase Compound ID | FlakY284Rdr |
|---|---|
| InChI | InChI=1S/C42H66N2O13/c1-10-12-13-14-16-20-31(47)54-35-33-32(26(6)34(35)55-38(49)25(5)11-2)36-42(52,41(9,51)39(50)56-36)29(23-40(33,8)57-27(7)45)53-30(46)19-17-15-18-21-44-37(48)28(43)22-24(3)4/h11,24,28-29,33-36,51-52H,10,12-23,43H2,1-9H3,(H,44,48)/b25-11-/t28-,29-,33+,34-,35-,36-,40-,41+,42+/m0/s1 |
| InChIKey | LDSHRCKGTIEHFN-OGFBZEOHSA-N |
| Mol Weight | 807.0 g/mol |
| Molecular Formula | C42H66N2O13 |
| Exact Mass | 806.45649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6apW9DEk0mt |
|---|---|
| Name | 8-O-(6-[L-LEUCINOYLAMINO]-HEXANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 7K |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66N2O13 |
| InChI | InChI=1S/C42H66N2O13/c1-10-12-13-14-16-20-31(47)54-35-33-32(26(6)34(35)55-38(49)25(5)11-2)36-42(52,41(9,51)39(50)56-36)29(23-40(33,8)57-27(7)45)53-30(46)19-17-15-18-21-44-37(48)28(43)22-24(3)4/h11,24,28-29,33-36,51-52H,10,12-23,43H2,1-9H3,(H,44,48)/b25-11-/t28-,29-,33+,34-,35-,36-,40-,41+,42+/m0/s1 |
| InChIKey | LDSHRCKGTIEHFN-OGFBZEOHSA-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 | 806.992 g/mol |
| Sample ID | 45275 |
| Solvent | CDCl3 |