식별자 및 물리적 특성
| CAS No. | 11072-93-8 |
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| 분자식 | C55H86O24 |
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| 평균 분자량 | 1,131.3 g/mol |
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| SMILES | C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@]2(CO)C(CC1(C)C)C1=CCC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O |
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| InChIKey | AXNVHPCVMSNXNP-ZELRDNAQSA-N |
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| PubChem CID | 6540709 |
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| ChEMBL | CHEMBL504794 |
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| EC No. | 232-462-6 |
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화학 및 물리적 성질
| XLogP | 0.7 |
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| 극성 표면적 | 388 |
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| 수소 결합 공여자 수 | 13 |
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| 수소 결합 수용자 수 | 24 |
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| 회전 가능 결합 수 | 16 |
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| 무거운 원자 수 | 79 |
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| 형식 전하 | 0 |
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| 복잡도 | 2,300 |
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| 물질 분류 | Biological Agents -> Plant Toxins |
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| 화장품 | SurfactantCleansing |
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| Physical Description | Solid[Sigma-Aldrich MSDS] |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3% (7 of 235) of reports.WarningH319 (96.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 235 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: SaponinsREACH registered substance: Saponins (EC: 232-462-6)Saponin: Does not have an individual approval but may be used under an appropriate group standard |
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| 유해성 요약 | Essentially non-toxic by ingestion but powerful hemolytics by intravenous injection[Merck Index] A strong eye irritant[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Eye Irrit. 2 (96.6%)Acute Tox. 4 (100%) |
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| Toxicity Data | LCLo (rat) = 250 mg/m3/4hr |
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