![4-OXO-4-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-BUTANOIC-ACID](/api/spectrum/J0hAN6v0hCt/structure.png?h=300&w=458 "4-OXO-4-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-BUTANOIC-ACID")
| SpectraBase Compound ID | u5Z1pjNy1Z |
|---|---|
| InChI | InChI=1S/C33H52O4/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-20-25(37-31(36)15-14-30(34)35)16-18-32(24,5)29(26)17-19-33(27,28)6/h8-10,21-23,25-29H,7,11-20H2,1-6H3,(H,34,35)/b9-8+/t22-,23-,25+,26+,27-,28+,29+,32+,33-/m1/s1 |
| InChIKey | LYTVDXWBHQIFHO-GMZLGSTCSA-N |
| Mol Weight | 512.8 g/mol |
| Molecular Formula | C33H52O4 |
| Exact Mass | 512.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J0hAN6v0hCt |
|---|---|
| Name | 4-OXO-4-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-BUTANOIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O4 |
| InChI | InChI=1S/C33H52O4/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-20-25(37-31(36)15-14-30(34)35)16-18-32(24,5)29(26)17-19-33(27,28)6/h8-10,21-23,25-29H,7,11-20H2,1-6H3,(H,34,35)/b9-8+/t22-,23-,25+,26+,27-,28+,29+,32+,33-/m1/s1 |
| InChIKey | LYTVDXWBHQIFHO-GMZLGSTCSA-N |
| Literature Reference Author | N.VIDA,H.SVOBODOVA,L.RAROVA,P.DRASAR,D.SAMAN,J.CVACKA,Z.WIMM ER |
| Literature Reference Citation | STEROIDS,77,1212(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.07.009 |
| Molecular Weight | 512.773 g/mol |
| Sample ID | 70720 |
| Solvent | CDCl3 |