Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 75729생성일: 2026년 11월 1일
Tutin
Tutu · TUTIN · Tutine · Toot poison · Tutin solution · Tutin, 20 μg/g acetonitrile solution · (7R,8R)-1aβ,1b,5,6,6a,7aβ-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methylethenyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one · Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one, hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)-, (1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)-
https://huagongshe.com/ko/chemical/75729
식별자 및 물리적 특성
| CAS No. | 2571-22-4 |
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| 분자식 | C15H18O6 |
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| 평균 분자량 | 294.3 g/mol |
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| 단동위원소 질량 | 294.11033829 g/mol |
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| SMILES | C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O |
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| InChIKey | CCAZWUJBLXKBAY-ULZPOIKGSA-N |
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| PubChem CID | 75729 |
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| ChEMBL | CHEMBL2268727 |
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| ChEBI | CHEBI:9783 |
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| EC No. | 808-861-1 |
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| DTXSID | DTXSID30180400 |
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화학 및 물리적 성질
| XLogP | -0.5 |
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| 극성 표면적 | 91.8 |
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| 수소 결합 공여자 수 | 2 |
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| 수소 결합 수용자 수 | 6 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 21 |
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| 형식 전하 | 0 |
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| 복잡도 | 603 |
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| 지질 | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103] |
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| 녹는점 | 209-212°mp 204-205° (Wakamatsu) |
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| 끓는 점 | 356.07°C (rough estimate) |
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| 밀도 | 1.1975 (rough estimate) |
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| 굴절률 | 1.4359 (estimate) |
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| 저장 조건 | -20°C |
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| pKa(산도 계수) | 12.83±0.70(Predicted) |
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| 주요 응용 | 청소용품화장품음식 및 음료개인 위생 관리 |
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| InChI | 1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1 |
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| InChIKey | CCAZWUJBLXKBAY-ULZPOIKGSA-N |
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| SMILES | O1[C@@]2([C@@H]3O[C@@H]3[C@@]4([C@]2([C@@H]([C@@H]5OC(=O)[C@H]4[C@@H]5C(=C)C)O)C)O)C1 |
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| LogP(분배 계수) | 1.380 (est) |
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안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| 건강 영향 | Tutin has powerful convulsant effects. (L1250) |
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| 노출 경로 | Oral (ingestion) (L1817)dermal (L1817) |
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| 독성 요약 | Tutin is a potent antagonist of the glycine receptor. (L1250) |
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| Signs and Symptoms | Tutin has powerful convulsant effects. (L1250) |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| 수질 위해 등급(WGK) | WGK 2 |
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| 독성 | LD50 i.p. in female mice: 3.0 mg/kg (Jarboe) |
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| 위험 등급 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
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| 저장 분류 | 3 - Flammable liquids |
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용도
용도
Coriaria Lactone can be used in biological study for effects of tutin and its derivatives on GAD and GABA-T in Pseudelatia separata tested as novel active ingredients for pest control. It is also utilized in agricultural use for anti-feedant activities and effects of tutin and its derivatives on mythimna separata and its physiological parameters.
