![METHYL-N-[5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-3,3-DIMETHYLPENTANOYL]-L-PHENYLALANINE](/api/spectrum/CnBjhGpDUJW/structure.png?h=300&w=458 "METHYL-N-[5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-3,3-DIMETHYLPENTANOYL]-L-PHENYLALANINE")
| SpectraBase Compound ID | D4cyh57zHkk |
|---|---|
| InChI | InChI=1S/C46H69NO5/c1-10-33(30(2)3)17-16-31(4)37-20-21-38-36-19-18-34-27-35(22-24-45(34,7)39(36)23-25-46(37,38)8)52-42(49)29-44(5,6)28-41(48)47-40(43(50)51-9)26-32-14-12-11-13-15-32/h11-18,30-31,33,35-40H,10,19-29H2,1-9H3,(H,47,48)/b17-16+/t31-,33-,35+,36+,37-,38+,39+,40+,45+,46-/m1/s1 |
| InChIKey | STPXHJZPIGVDBK-KHTWDEEMSA-N |
| Mol Weight | 716.1 g/mol |
| Molecular Formula | C46H69NO5 |
| Exact Mass | 715.517574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CnBjhGpDUJW |
|---|---|
| Name | METHYL-N-[5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-3,3-DIMETHYLPENTANOYL]-L-PHENYLALANINE |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H69NO5 |
| InChI | InChI=1S/C46H69NO5/c1-10-33(30(2)3)17-16-31(4)37-20-21-38-36-19-18-34-27-35(22-24-45(34,7)39(36)23-25-46(37,38)8)52-42(49)29-44(5,6)28-41(48)47-40(43(50)51-9)26-32-14-12-11-13-15-32/h11-18,30-31,33,35-40H,10,19-29H2,1-9H3,(H,47,48)/b17-16+/t31-,33-,35+,36+,37-,38+,39+,40+,45+,46-/m1/s1 |
| InChIKey | STPXHJZPIGVDBK-KHTWDEEMSA-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 | 716.058 g/mol |
| Sample ID | 367 |
| Solvent | Unknown |