| SpectraBase Compound ID | K8I2wICUJFY |
|---|---|
| InChI | InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h7-8,16,18-24,29-30,32H,3,9-15H2,1-2,4-6H3/b8-7+/t18-,19+,20+,21-,22+,23+,24+,26-,27+,28-/m1/s1 |
| InChIKey | GGUKDEVDQIQJKX-FBLPJEGZSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C28H44O4 |
| Exact Mass | 444.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeKzsKBKTte |
|---|---|
| Name | GIBBEROKETOSTEROL_B;24-METHYLEN-ECHOLEST-22-E-EN-1-ALPHA,3-BETA,5-BETA-TRIOL-6-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O4 |
| InChI | InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h7-8,16,18-24,29-30,32H,3,9-15H2,1-2,4-6H3/b8-7+/t18-,19+,20+,21-,22+,23+,24+,26-,27+,28-/m1/s1 |
| InChIKey | GGUKDEVDQIQJKX-FBLPJEGZSA-N |
| Literature Reference Author | A.F.AHMED,Y.T.HSIEH,Z.H.WEN,Y.C.WU,J.H.SHEU |
| Literature Reference Citation | J.NAT.PROD.,69,1275(2006) |
| Literature Reference DOI | 10.1021/np0601509 |
| Molecular Weight | 444.655 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15445 |