(e)-4-[[(3s,6ar,6bs,8as,11r,12as,14br)-4,4,6a,6b,8a,11,14b-heptamethyl-11-[2-[(2e,6e,10e,14e,18e,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]sulfanylethylcarbamoyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-oxobut-2-enoic acid (CHEM358525)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 11:59:28 UTC | ||||||||
| Update Date | 2026-09-01 11:59:28 UTC | ||||||||
| Accession Number | CHEM358525 | ||||||||
| Identification | |||||||||
| Common Name | (e)-4-[[(3s,6ar,6bs,8as,11r,12as,14br)-4,4,6a,6b,8a,11,14b-heptamethyl-11-[2-[(2e,6e,10e,14e,18e,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]sulfanylethylcarbamoyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-oxobut-2-enoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM358525: (e)-4-[[(3s,6ar,6bs,8as,11r,12as,14br)-4,4,6a,6b,8a,11,14b-heptamethyl-11-[2-[(2e,6e,10e,14e,18e,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]sulfanylethylcarbamoyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-oxobut-2-enoic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C81H127NO5S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1225.943 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCSCCNC(=O)C1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC(=O)O)C)C)C2C1)C)C)C)C)C)C)C)C)C)C)C)C | ||||||||
| InChI Identifier | InChI=1S/C81H127NO5S/c1-59(2)26-18-27-60(3)28-19-29-61(4)30-20-31-62(5)32-21-33-63(6)34-22-35-64(7)36-23-37-65(8)38-24-39-66(9)40-25-41-67(10)48-56-88-57-55-82-75(86)78(14)52-51-77(13)53-54-80(16)68(69(77)58-78)42-43-71-79(15)49-47-72(87-74(85)45-44-73(83)84)76(11,12)70(79)46-50-81(71,80)17/h26,28,30,32,34,36,38,40,42,44-45,48,69-72H,18-25,27,29,31,33,35,37,39,41,43,46-47,49-58H2,1-17H3,(H,82,86)(H,83,84)/b45-44+,60-28+,61-30+,62-32+,63-34+,64-36+,65-38+,66-40+,67-48+/t69-,70?,71?,72+,77-,78-,79+,80-,81-/m1/s1 | ||||||||
| InChI Key | XWKROONAQCQNRG-SWBALCTOSA-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 | |||||||||
| 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 | ||||||||
