![8-O-(12-[N(ALPHA)-TERT.-BUTOXYCARBONYL-L-SERINOYLAMINO]-DODECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN](/api/spectrum/45LVaCuioAj/structure.png?h=300&w=458 "8-O-(12-[N(ALPHA)-TERT.-BUTOXYCARBONYL-L-SERINOYLAMINO]-DODECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN")
| SpectraBase Compound ID | GtgH1Rnkz57 |
|---|---|
| InChI | InChI=1S/C50H80N2O16/c1-11-13-14-20-23-27-37(56)64-41-39-38(32(4)40(41)65-44(58)31(3)12-2)42-50(62,49(10,61)45(59)66-42)35(29-48(39,9)67-33(5)54)63-36(55)26-24-21-18-16-15-17-19-22-25-28-51-43(57)34(30-53)52-46(60)68-47(6,7)8/h12,34-35,39-42,53,61-62H,11,13-30H2,1-10H3,(H,51,57)(H,52,60)/b31-12-/t34-,35-,39+,40-,41-,42-,48-,49+,50+/m0/s1 |
| InChIKey | MXETVRFRIVKBHG-KVMAIVJCSA-N |
| Mol Weight | 965.2 g/mol |
| Molecular Formula | C50H80N2O16 |
| Exact Mass | 964.550784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45LVaCuioAj |
|---|---|
| Name | 8-O-(12-[N(ALPHA)-TERT.-BUTOXYCARBONYL-L-SERINOYLAMINO]-DODECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 18N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80N2O16 |
| InChI | InChI=1S/C50H80N2O16/c1-11-13-14-20-23-27-37(56)64-41-39-38(32(4)40(41)65-44(58)31(3)12-2)42-50(62,49(10,61)45(59)66-42)35(29-48(39,9)67-33(5)54)63-36(55)26-24-21-18-16-15-17-19-22-25-28-51-43(57)34(30-53)52-46(60)68-47(6,7)8/h12,34-35,39-42,53,61-62H,11,13-30H2,1-10H3,(H,51,57)(H,52,60)/b31-12-/t34-,35-,39+,40-,41-,42-,48-,49+,50+/m0/s1 |
| InChIKey | MXETVRFRIVKBHG-KVMAIVJCSA-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 | 965.189 g/mol |
| Sample ID | 45270 |
| Solvent | CDCl3 |