| SpectraBase Compound ID | KFpRgW2DbeE |
|---|---|
| InChI | InChI=1S/C28H39ClO4/c1-15(2)16(3)24(31)14-18(26(32)33)20-9-8-19-17-6-7-22-25(29)23(30)11-13-28(22,5)21(17)10-12-27(19,20)4/h15,17-21H,3,6-14H2,1-2,4-5H3,(H,32,33)/t17?,18?,19?,20-,21?,27+,28-/m1/s1 |
| InChIKey | VTNNSCVGSQXDMY-CLPDTRGYSA-N |
| Mol Weight | 475.1 g/mol |
| Molecular Formula | C28H39ClO4 |
| Exact Mass | 474.253687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2pjsj25gNLF |
|---|---|
| Name | KIHEISTERONE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H39ClO4 |
| InChI | InChI=1S/C28H39ClO4/c1-15(2)16(3)24(31)14-18(26(32)33)20-9-8-19-17-6-7-22-25(29)23(30)11-13-28(22,5)21(17)10-12-27(19,20)4/h15,17-21H,3,6-14H2,1-2,4-5H3,(H,32,33)/t17?,18?,19?,20-,21?,27+,28-/m1/s1 |
| InChIKey | VTNNSCVGSQXDMY-CLPDTRGYSA-N |
| Literature Reference Author | J.R.CARNEY,P.J.SCHEUER,M.KELLY-BORGES |
| Literature Reference Citation | J.ORG.CHEM.,58,3460(1993) |
| Literature Reference DOI | 10.1021/jo00064a041 |
| Molecular Weight | 475.068 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG759 |