| SpectraBase Compound ID | CmkFMMXmFD6 |
|---|---|
| InChI | InChI=1S/C29H44O4/c1-7-29(33-32,18(2)3)15-10-19(4)22-8-9-23-21-17-26(31)25-16-20(30)11-13-28(25,6)24(21)12-14-27(22,23)5/h7,16,18-19,21-24,32H,1,8-15,17H2,2-6H3/t19-,21+,22-,23+,24+,27-,28-,29?/m1/s1 |
| InChIKey | PGUZRCYRDRXYDE-VRXDQMMBSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C29H44O4 |
| Exact Mass | 456.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0dWTpWsH4L |
|---|---|
| Name | 24-XI-HYDROPEROXY-24-ETHYLCHOLESTA-4,24(28)-DIEN-3,6-DIONE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O4 |
| InChI | InChI=1S/C29H44O4/c1-7-29(33-32,18(2)3)15-10-19(4)22-8-9-23-21-17-26(31)25-16-20(30)11-13-28(25,6)24(21)12-14-27(22,23)5/h7,16,18-19,21-24,32H,1,8-15,17H2,2-6H3/t19-,21+,22-,23+,24+,27-,28-,29?/m1/s1 |
| InChIKey | PGUZRCYRDRXYDE-VRXDQMMBSA-N |
| Literature Reference Author | J.H.SHEU,G.H.WANG,P.J.SUNG,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,62,224(1999) |
| Literature Reference DOI | 10.1021/np980233s |
| Molecular Weight | 456.666 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8451 |