| SpectraBase Compound ID | B5UJYilN5sY |
|---|---|
| InChI | InChI=1S/C28H44O2/c1-18(2)19(3)7-8-20(4)28(30)16-13-25-23-10-9-21-17-22(29)11-14-26(21,5)24(23)12-15-27(25,28)6/h9-10,17-20,23-25,30H,7-8,11-16H2,1-6H3/t19-,20+,23+,24-,25-,26-,27-,28?/m0/s1 |
| InChIKey | KWNYTPSKDBPUHA-ZYQHOTALSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C28H44O2 |
| Exact Mass | 412.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99jDQDjQEUy |
|---|---|
| Name | BONDUCENONE-A;17-HYDROXY-CAMPESTA-4,6-DIEN-3-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O2 |
| InChI | InChI=1S/C28H44O2/c1-18(2)19(3)7-8-20(4)28(30)16-13-25-23-10-9-21-17-22(29)11-14-26(21,5)24(23)12-15-27(25,28)6/h9-10,17-20,23-25,30H,7-8,11-16H2,1-6H3/t19-,20+,23+,24-,25-,26-,27-,28?/m0/s1 |
| InChIKey | KWNYTPSKDBPUHA-ZYQHOTALSA-N |
| Literature Reference Author | C.C.UDENIGWE,A.ATA,R.SAMARASEKERA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,442(2007) |
| Literature Reference DOI | 10.1248/cpb.55.442 |
| Molecular Weight | 412.656 g/mol |
| Sample ID | 55504 |
| Solvent | CDCl3 |