4-[2-[(3r,5r,8r,9s,10s,13s,14s,17s)-3-[2-(4-acetylphenyl)ethynyl]-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid (CHEM349672)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 20:51:43 UTC | ||||||||
| Update Date | 2026-08-31 20:51:43 UTC | ||||||||
| Accession Number | CHEM349672 | ||||||||
| Identification | |||||||||
| Common Name | 4-[2-[(3r,5r,8r,9s,10s,13s,14s,17s)-3-[2-(4-acetylphenyl)ethynyl]-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C35H44O7 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 576.309 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[2-[(3r,5r,8r,9s,10s,13s,14s,17s)-3-[2-(4-acetylphenyl)ethynyl]-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)C1=CC=C(C=C1)C#CC2(CCC3(C(C2)CCC4C3CCC5(C4CCC5C(=O)COC(=O)CCC(=O)O)C)C)O | ||||||||
| InChI Identifier | InChI=1S/C35H44O7/c1-22(36)24-6-4-23(5-7-24)14-17-35(41)19-18-33(2)25(20-35)8-9-26-27-10-11-29(34(27,3)16-15-28(26)33)30(37)21-42-32(40)13-12-31(38)39/h4-7,25-29,41H,8-13,15-16,18-21H2,1-3H3,(H,38,39)/t25-,26+,27+,28+,29-,33+,34+,35-/m1/s1 | ||||||||
| InChI Key | VGGOCXQMNSPMBC-AHUVBYTPSA-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
