[(1r,5s)-3-[(z)-2-[(1r,3ar,7ar)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate (CHEM213657)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 10:43:01 UTC | ||||||||
| Update Date | 2026-08-22 10:43:01 UTC | ||||||||
| Accession Number | CHEM213657 | ||||||||
| Identification | |||||||||
| Common Name | [(1r,5s)-3-[(z)-2-[(1r,3ar,7ar)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [(1r,5s)-3-[(z)-2-[(1r,3ar,7ar)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate belongs to the vitamin d and derivatives, a subclass of steroids and steroid derivatives within the organic compounds. This lipid and lipid-like molecule has the formula C31H48O4 and an average molecular weight of 484.70 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H48O4 | ||||||||
| Average Molecular Mass | 484.700 g/mol | ||||||||
| Monoisotopic Mass | 484.355 g/mol | ||||||||
| CAS Registry Number | 54712-17-3 | ||||||||
| IUPAC Name | [(1R,5S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C31H48O4/c1-20(2)10-8-11-21(3)28-15-16-29-25(12-9-17-31(28,29)7)13-14-26-18-27(34-23(5)32)19-30(22(26)4)35-24(6)33/h12-14,20-21,27-30H,8-11,15-19H2,1-7H3/b14-13-/t21-,27-,28-,29+,30+,31-/m1/s1 | ||||||||
| InChI Key | YLYNCPGDKZTDMI-OSGXNWEKSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
