[(2r,2as,4as,7as,7br)-2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-bromo-4,6-dihydroxy-2-methylbenzoate (CHEM332512)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 19:09:03 UTC | ||||||||
| Update Date | 2026-08-30 19:09:03 UTC | ||||||||
| Accession Number | CHEM332512 | ||||||||
| Identification | |||||||||
| Common Name | [(2r,2as,4as,7as,7br)-2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-bromo-4,6-dihydroxy-2-methylbenzoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [(2r,2as,4as,7as,7br)-2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-bromo-4,6-dihydroxy-2-methylbenzoate is a compound with the formula C23H29BrO6. It has an average molecular weight of 481.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H29BrO6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 480.115 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [(2r,2as,4as,7as,7br)-2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-bromo-4,6-dihydroxy-2-methylbenzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C(=CC(=C1Br)O)O)C(=O)OC2CC3(C2(C(=CC4C3CC(C4)(C)C)CO)O)C | ||||||||
| InChI Identifier | InChI=1S/C23H29BrO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,12,14,17,25-27,29H,7-10H2,1-4H3/t12-,14+,17-,22-,23+/m1/s1 | ||||||||
| InChI Key | WVNDEZRWZBQWIL-PPUVGZBRSA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
