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기본 정보
- CAS
23554-81-6- 표준 SMILES
C[C@@H]1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@](CO)(CCO)O2- InChIKey
XYPPDQHBNJURHU-IPOQXWOTSA-N- 분자식
- C20H36O5
- 평균 분자량
- 356.503 g/mol
- 단동위원소 질량
- 356.25627425
이름 및 식별자
- 우선 이름
- Lagochillin
- IUPAC
- (1R,2R,4aS,5R,5'S,6S,8aS)-5'-(2-Hydroxyethyl)-5,5'-bis(hydroxymethyl)-2,5,8a-trimethyloctahydro-2H-spiro[naphthalene-1,2'-oxolan]-6-ol
- 영어명
- (2R,4'aα,5S)-3',4,4',4a',5,5',6',7',8',8a'-Decahydro-6'β-hydroxy-5-(2-hydroxyethyl)-2'α,5',8'aβ-trimethylspiro[furan-2(3H),1'(2'H)-naphthalene]-5,5'α-dimethanol
- 분자식
- C20H36O5
- 분자량
- 356.5
이름 및 동의어
Lagochilin(1R,2S,4aS,5R,5'S,6R,8aS)-5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-olSpiro[furan-2(3H),1'(2'H)-naphthalene]-5,5'-dimethanol, decahydro-6'-hydroxy-5-(2-hydroxyethyl)-2',5',8'a-trimethyl-, (1'R,2'R,4'aS,5S,5'R,6'S,8'aS)-(2R,4'aα,5S)-3',4,4',4a',5,5',6',7',8',8a'-Decahydro-6'β-hydroxy-5-(2-hydroxyethyl)-2'α,5',8'aβ-trimethylspiro[furan-2(3H),1'(2'H)-naphthalene]-5,5'α-dimethanol
데이터베이스 식별자
- CAS
23554-81-6- PubChem CID
- 7061097
- DTXSID
DTXSID30392905- ChEMBL
CHEMBL2165226- ChEBI
CHEBI:167853- UNII
- S62BXK5HES
- Nikkaji
- J28.601J
물성
물리화학적 성질
- 녹는점
- 167 · 167~168℃
- 끓는 점
- 518.2 · 518.2±35.0 °C(Predicted)
- 밀도
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- 용해도
- 1 mg/ml · Methanol: 1 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 14.44 · 14.44±0.10(Predicted)
화학 및 산업
응용 분야
용도Plants from the mint genus Lagochilus have been used in traditional medicines of the east. Lagochiline is a polyphenolic natural product isolated from Lagochilus spp. which is thought to provide some of the benefits of the herb. The physiological, immunological, and toxicological properties of this compound remain to be determined. This product is intended for research and forensic purposes.[Cayman Chemical]
공급사4 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
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