![8-O-(12-[L-PHENYLALANINOYLAMINO]-DODECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN](/api/spectrum/FY9tg3HH2vQ/structure.png?h=300&w=458 "8-O-(12-[L-PHENYLALANINOYLAMINO]-DODECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN")
| SpectraBase Compound ID | 8E3pygZ3Quf |
|---|---|
| InChI | InChI=1S/C51H76N2O13/c1-8-10-11-17-23-29-40(56)63-44-42-41(34(4)43(44)64-47(58)33(3)9-2)45-51(61,50(7,60)48(59)65-45)38(32-49(42,6)66-35(5)54)62-39(55)28-24-18-15-13-12-14-16-19-25-30-53-46(57)37(52)31-36-26-21-20-22-27-36/h9,20-22,26-27,37-38,42-45,60-61H,8,10-19,23-25,28-32,52H2,1-7H3,(H,53,57)/b33-9-/t37-,38-,42+,43-,44-,45-,49-,50+,51+/m0/s1 |
| InChIKey | FNBRCGSXDVKAAC-WMPXVUGISA-N |
| Mol Weight | 925.2 g/mol |
| Molecular Formula | C51H76N2O13 |
| Exact Mass | 924.534741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FY9tg3HH2vQ |
|---|---|
| Name | 8-O-(12-[L-PHENYLALANINOYLAMINO]-DODECANOYL)-8-O-DEBUTANOYL-THAPSIGARGIN |
| Compound Number | 7O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H76N2O13 |
| InChI | InChI=1S/C51H76N2O13/c1-8-10-11-17-23-29-40(56)63-44-42-41(34(4)43(44)64-47(58)33(3)9-2)45-51(61,50(7,60)48(59)65-45)38(32-49(42,6)66-35(5)54)62-39(55)28-24-18-15-13-12-14-16-19-25-30-53-46(57)37(52)31-36-26-21-20-22-27-36/h9,20-22,26-27,37-38,42-45,60-61H,8,10-19,23-25,28-32,52H2,1-7H3,(H,53,57)/b33-9-/t37-,38-,42+,43-,44-,45-,49-,50+,51+/m0/s1 |
| InChIKey | FNBRCGSXDVKAAC-WMPXVUGISA-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 | 925.170 g/mol |
| Sample ID | 45273 |
| Solvent | CDCl3 |