Agrostemmasaponine 2 (CHEM114185)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:17:09 UTC | ||||||||
| Update Date | 2026-05-21 00:31:13 UTC | ||||||||
| Accession Number | CHEM114185 | ||||||||
| Identification | |||||||||
| Common Name | Agrostemmasaponine 2 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C71H110O36 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1538.678 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[5-acetyl-4-hydroxy-3-[3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxyoxan-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/C71H110O36/c1-26(75)28-22-94-63(55(38(28)78)105-62-50(90)53(103-60-47(87)43(83)41(81)33(20-72)98-60)51(27(2)97-62)101-58-45(85)39(79)31(76)23-95-58)107-65(93)71-17-15-66(3,4)19-30(71)29-9-10-36-67(5)13-12-37(68(6,25-74)35(67)11-14-70(36,8)69(29,7)16-18-71)100-64-56(106-61-48(88)44(84)42(82)34(21-73)99-61)52(49(89)54(104-64)57(91)92)102-59-46(86)40(80)32(77)24-96-59/h9,25,27-28,30-56,58-64,72-73,76-90H,10-24H2,1-8H3,(H,91,92)/t27?,28?,30-,31?,32?,33?,34?,35+,36+,37-,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,58?,59?,60?,61?,62?,63?,64?,67-,68-,69+,70+,71-/m0/s1 | ||||||||
| InChI Key | IEOHGLGGEBMWQW-NBTYGUIOSA-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 | ||||||||
