Agrostemmasaponine 1 (CHEM114184)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:17:06 UTC | ||||||||
| Update Date | 2026-05-21 00:31:09 UTC | ||||||||
| Accession Number | CHEM114184 | ||||||||
| Identification | |||||||||
| Common Name | Agrostemmasaponine 1 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C66H102O32 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1406.635 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[5-acetyl-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C66H102O32/c1-25(70)27-22-87-58(51(37(27)73)96-57-47(83)48(36(72)26(2)89-57)93-55-44(80)41(77)39(75)31(20-67)90-55)98-60(86)66-17-15-61(3,4)19-29(66)28-9-10-34-62(5)13-12-35(63(6,24-69)33(62)11-14-65(34,8)64(28,7)16-18-66)92-59-52(97-56-45(81)42(78)40(76)32(21-68)91-56)49(46(82)50(95-59)53(84)85)94-54-43(79)38(74)30(71)23-88-54/h9,24,26-27,29-52,54-59,67-68,71-83H,10-23H2,1-8H3,(H,84,85)/t26?,27?,29-,30?,31?,32?,33+,34+,35-,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,54?,55?,56?,57?,58?,59?,62-,63-,64+,65+,66-/m0/s1 | ||||||||
| InChI Key | ZHTGRDKGTZFYDC-SEOAMRKZSA-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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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
