![METHYL-N-[4-OXO-4-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-BUTANOYL]-L-PHENYLALANINE](/api/spectrum/JHEAnGLOWLp/structure.png?h=300&w=458 "METHYL-N-[4-OXO-4-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-BUTANOYL]-L-PHENYLALANINE")
| SpectraBase Compound ID | IzT72igv4RP |
|---|---|
| InChI | InChI=1S/C43H63NO5/c1-8-31(28(2)3)15-14-29(4)35-18-19-36-34-17-16-32-27-33(22-24-42(32,5)37(34)23-25-43(35,36)6)49-40(46)21-20-39(45)44-38(41(47)48-7)26-30-12-10-9-11-13-30/h9-16,28-29,31,33-38H,8,17-27H2,1-7H3,(H,44,45)/b15-14+/t29-,31-,33+,34+,35-,36+,37+,38+,42+,43-/m1/s1 |
| InChIKey | TUPRVGOGDZGMDX-VQIGWQDJSA-N |
| Mol Weight | 674.0 g/mol |
| Molecular Formula | C43H63NO5 |
| Exact Mass | 673.470624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHEAnGLOWLp |
|---|---|
| Name | METHYL-N-[4-OXO-4-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-BUTANOYL]-L-PHENYLALANINE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H63NO5 |
| InChI | InChI=1S/C43H63NO5/c1-8-31(28(2)3)15-14-29(4)35-18-19-36-34-17-16-32-27-33(22-24-42(32,5)37(34)23-25-43(35,36)6)49-40(46)21-20-39(45)44-38(41(47)48-7)26-30-12-10-9-11-13-30/h9-16,28-29,31,33-38H,8,17-27H2,1-7H3,(H,44,45)/b15-14+/t29-,31-,33+,34+,35-,36+,37+,38+,42+,43-/m1/s1 |
| InChIKey | TUPRVGOGDZGMDX-VQIGWQDJSA-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 | 673.977 g/mol |
| Sample ID | 365 |
| Solvent | Unknown |