| SpectraBase Compound ID | 4s8GDRjkZAU |
|---|---|
| InChI | InChI=1S/C30H44O3/c1-7-21(20(3)28(32)33-6)9-8-19(2)25-12-13-26-24-11-10-22-18-23(31)14-16-29(22,4)27(24)15-17-30(25,26)5/h8-9,14,16,18-21,24-27H,7,10-13,15,17H2,1-6H3/b9-8+/t19-,20?,21-,24+,25-,26+,27+,29?,30?/m1/s1 |
| InChIKey | IYLPXZKTFIQLSG-YFLUNSPOSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C30H44O3 |
| Exact Mass | 452.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ziDCbbzewt |
|---|---|
| Name | 3-OXO-1,4,22-STIGMASTA-TRIEN-26-OIC-ACID-METHYLESTER |
| Compound Number | X |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O3 |
| InChI | InChI=1S/C30H44O3/c1-7-21(20(3)28(32)33-6)9-8-19(2)25-12-13-26-24-11-10-22-18-23(31)14-16-29(22,4)27(24)15-17-30(25,26)5/h8-9,14,16,18-21,24-27H,7,10-13,15,17H2,1-6H3/b9-8+/t19-,20?,21-,24+,25-,26+,27+,29?,30?/m1/s1 |
| InChIKey | IYLPXZKTFIQLSG-YFLUNSPOSA-N |
| Literature Reference Author | G.AMBRUS,E.ILKOY,A.JEKKEL,G.HORVATH,Z.BOECSKEI |
| Literature Reference Citation | STEROIDS,60,621(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00077-4 |
| Molecular Weight | 452.678 g/mol |
| Source File Reference | UWLU73849 |