| SpectraBase Compound ID | HjdkimENDog |
|---|---|
| InChI | InChI=1S/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33) |
| InChIKey | GFTWFYLFSOGAEP-UHFFFAOYSA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C29H48O5 |
| Exact Mass | 476.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H11502vXwlV |
|---|---|
| Name | 5,6-Secocholestan-6-oic acid, 3-(acetyloxy)-5-oxo-, (3.beta.)- |
| Alternate Name(s) | [5-[4-(Acetyloxy)-1-methyl-2-oxocyclohexyl]-1-(1,5-dimethylhexyl)-7a-methyloctahydro-1H-inden-4-yl]acetic acid 2-[5-(4-acetoxy-1-methyl-2-oxo-cyclohexyl)-1-(1,5-dimethylhexyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid 2-[5-(4-acetoxy-2-keto-1-methyl-cyclohexyl)-1-(1,5-dimethylhexyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid 2-[5-(4-acetyloxy-1-methyl-2-oxidanylidene-cyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethanoic acid 2-[5-(4-acetyloxy-1-methyl-2-oxocyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid 5,6-Secocholestan-6-oic acid, 3.beta.-hydroxy-5-oxo-, acetate |
| CAS Registry Number | 10473-42-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O5 |
| InChI | InChI=1S/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33) |
| InChIKey | GFTWFYLFSOGAEP-UHFFFAOYSA-N |
| Molecular Weight | 476.698 g/mol |
| SMILES | OC(CC1C2C(C)(CCC1C1(C(CC(OC(C)=O)CC1)=O)C)C(CC2)C(CCCC(C)C)C)=O |
| SPLASH | splash10-03di-5900000000-3e69767b130d6a4da366 |
| Source of Spectrum | O-8-5-5 |
| Wiley ID | 1394412 |