| SpectraBase Compound ID | JPBTHIm7gV5 |
|---|---|
| InChI | InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18-20,23-24,26H,5,8-17H2,1-4,6-7H3/t19?,20-,23-,24?,26?,28-,29+/m1/s1 |
| InChIKey | JZUYDQLGXDUUKE-HFHPTSLISA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ALzhEwtrAsW |
|---|---|
| Name | 3-Keto derivative of conicasterol |
| Alternate Name(s) | 4-Methyleneergost-8(14)-en-3-one |
| CAS Registry Number | 76758-20-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18-20,23-24,26H,5,8-17H2,1-4,6-7H3/t19?,20-,23-,24?,26?,28-,29+/m1/s1 |
| InChIKey | JZUYDQLGXDUUKE-HFHPTSLISA-N |
| Molecular Weight | 410.686 g/mol |
| SMILES | C=12[C@@]([C@@]([C@@](CCC(C(C)C)C)(C)[H])(CC2)[H])(CCC2[C@]3(CCC(C(C3CCC12)=C)=O)C)C |
| SPLASH | splash10-0a4i-9000300000-a471fd6ef2d9e471d1e1 |
| Source of Spectrum | J-46-1839-0 |
| Wiley ID | 1373926 |