![METHYL-N-[5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-PENTANOYL]-L-PHENYLALANINE](/api/spectrum/cMON8FUf67/structure.png?h=300&w=458 "METHYL-N-[5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-PENTANOYL]-L-PHENYLALANINE")
| SpectraBase Compound ID | HYUZWxJLfRI |
|---|---|
| InChI | InChI=1S/2C44H65NO5/c2*1-8-32(29(2)3)18-17-30(4)36-21-22-37-35-20-19-33-28-34(23-25-43(33,5)38(35)24-26-44(36,37)6)50-41(47)16-12-15-40(46)45-39(42(48)49-7)27-31-13-10-9-11-14-31/h2*9-11,13-14,17-19,29-30,32,34-39H,8,12,15-16,20-28H2,1-7H3,(H,45,46)/b2*18-17+/t2*30-,32-,34+,35+,36-,37+,38+,39+,43+,44-/m11/s1 |
| InChIKey | OQKDRRZFUUAEGS-QDUGJNRYSA-N |
| Mol Weight | 1376.0 g/mol |
| Molecular Formula | C88H130N2O10 |
| Exact Mass | 1374.972548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | cMON8FUf67 |
|---|---|
| Name | METHYL-N-[5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-PENTANOYL]-L-PHENYLALANINE |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C88H130N2O10 |
| InChI | InChI=1S/2C44H65NO5/c2*1-8-32(29(2)3)18-17-30(4)36-21-22-37-35-20-19-33-28-34(23-25-43(33,5)38(35)24-26-44(36,37)6)50-41(47)16-12-15-40(46)45-39(42(48)49-7)27-31-13-10-9-11-14-31/h2*9-11,13-14,17-19,29-30,32,34-39H,8,12,15-16,20-28H2,1-7H3,(H,45,46)/b2*18-17+/t2*30-,32-,34+,35+,36-,37+,38+,39+,43+,44-/m11/s1 |
| InChIKey | OQKDRRZFUUAEGS-QDUGJNRYSA-N |
| Literature Reference Author | J.SUSTEKOVA,P.DRASAL,D.SAMAN,Z.WIMMER |
| Literature Reference Citation | MOLECULES,16,9357(2011) |
| Literature Reference DOI | 10.3390/molecules16119357 |
| Molecular Weight | 1376.008 g/mol |
| Sample ID | 366 |
| Solvent | Unknown |