| SpectraBase Compound ID | IgtcC1Refe9 |
|---|---|
| InChI | InChI=1S/C36H52O3/c1-23(2)9-8-10-24(3)30-15-16-31-29-22-36(25(4)37,26-11-13-28(39-7)14-12-26)33-21-27(38)17-19-35(33,6)32(29)18-20-34(30,31)5/h11-14,21,23-24,29-32H,8-10,15-20,22H2,1-7H3/t24-,29+,30-,31+,32+,34-,35-,36+/m1/s1 |
| InChIKey | NLOPRVDOUGEZDB-UXVOQRPESA-N |
| Mol Weight | 532.8 g/mol |
| Molecular Formula | C36H52O3 |
| Exact Mass | 532.391646 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HYXPPcCD99a |
|---|---|
| Name | Cholest-4-en-3-one, 6-acetyl-6-(4-methoxyphenyl)-, (6.beta.)- |
| Alternate Name(s) | 1-[(6beta)-6-(4-methoxyphenyl)-3-oxocholest-4-en-6-yl]ethanone 6.beta.-acetyl-6.alpha.-(p-methoxy-phenyl)cholest-4-en-3-one |
| CAS Registry Number | 73067-06-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H52O3 |
| InChI | InChI=1S/C36H52O3/c1-23(2)9-8-10-24(3)30-15-16-31-29-22-36(25(4)37,26-11-13-28(39-7)14-12-26)33-21-27(38)17-19-35(33,6)32(29)18-20-34(30,31)5/h11-14,21,23-24,29-32H,8-10,15-20,22H2,1-7H3/t24-,29+,30-,31+,32+,34-,35-,36+/m1/s1 |
| InChIKey | NLOPRVDOUGEZDB-UXVOQRPESA-N |
| Molecular Weight | 532.809 g/mol |
| SMILES | C=12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(C[C@]2(C(=O)C)c2ccc(cc2)OC)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC(C1)=O)C |
| SPLASH | splash10-000i-4000900000-efe0cbcb182332aeb8e1 |
| Source of Spectrum | B-32-1566-0 |
| Wiley ID | 1403670 |