![8-O-(3-[4-[L-LEUCINOYLAMINO]-PHENYL]-PROPANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN](/api/spectrum/HKO9E0081mQ/structure.png?h=300&w=458 "8-O-(3-[4-[L-LEUCINOYLAMINO]-PHENYL]-PROPANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN")
| SpectraBase Compound ID | 3owW6kebGfX |
|---|---|
| InChI | InChI=1S/C45H64N2O13/c1-10-12-13-14-15-16-33(49)57-38-36-35(27(6)37(38)58-41(52)26(5)11-2)39-45(55,44(9,54)42(53)59-39)32(24-43(36,8)60-28(7)48)56-34(50)22-19-29-17-20-30(21-18-29)47-40(51)31(46)23-25(3)4/h11,17-18,20-21,25,31-32,36-39,54-55H,10,12-16,19,22-24,46H2,1-9H3,(H,47,51)/b26-11-/t31-,32-,36+,37-,38-,39-,43-,44+,45+/m0/s1 |
| InChIKey | MRZINLPIJUMGJF-AMURBKPFSA-N |
| Mol Weight | 841.0 g/mol |
| Molecular Formula | C45H64N2O13 |
| Exact Mass | 840.44084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKO9E0081mQ |
|---|---|
| Name | 8-O-(3-[4-[L-LEUCINOYLAMINO]-PHENYL]-PROPANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H64N2O13 |
| InChI | InChI=1S/C45H64N2O13/c1-10-12-13-14-15-16-33(49)57-38-36-35(27(6)37(38)58-41(52)26(5)11-2)39-45(55,44(9,54)42(53)59-39)32(24-43(36,8)60-28(7)48)56-34(50)22-19-29-17-20-30(21-18-29)47-40(51)31(46)23-25(3)4/h11,17-18,20-21,25,31-32,36-39,54-55H,10,12-16,19,22-24,46H2,1-9H3,(H,47,51)/b26-11-/t31-,32-,36+,37-,38-,39-,43-,44+,45+/m0/s1 |
| InChIKey | MRZINLPIJUMGJF-AMURBKPFSA-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 | 841.009 g/mol |
| Sample ID | 45247 |
| Solvent | CDCl3 |