기본 정보
- CAS
10219-75-7- 표준 SMILES
C=C(C)[C@@H]1CCC2=CCC[C@H](C)[C@@]2(C)C1- InChIKey
QEBNYNLSCGVZOH-GZBFAFLISA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
- 단동위원소 질량
- 204.18780077
개요
(-)-eremophilene is a member of the classs of octahydronaphthalenes and a sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted by an isopropenyl group at position 3 and by methyl groups at positions 4a and 5 (the 3R,4aR,5S- diastereoisomer). It is a member of octahydronaphthalenes, a sesquiterpene and a polycyclic olefin. It is an enantiomer of a (+)-eremophilene.
이름 및 식별자
- 우선 이름
- Eremophilene
- IUPAC
- (3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
- 현지명
- 에레모필렌
- 영어명
- Eremophilene
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
Eremophilene10219-75-7Eremophila-1(10),11-dieneOPI7MD81JTNaphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S,7R,8aR)-DTXSID30144729(3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthaleneNaphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S-(1alpha,7alpha,8aalpha))-RefChem:1084164DTXCID4067220(3S,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthaleneEremophylene
이름 더 보기
에레모필렌(1S)-1,2,3,5,6,7,8,8a-Octahydro-1,8aβ-dimethyl-7β-isopropenylnaphthalene(2R)-2α-Isopropenyl-8α,8aα-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene1,2,3,5,6,7,8,8a-Octahydro-1β,8aβ-dimethyl-7β-(1-methylethenyl)naphthalene
UNII-OPI7MD81JT(3R,4aR,5S)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene(-)-eremophileneSCHEMBL567341CHEBI:142091QEBNYNLSCGVZOH-GZBFAFLISA-NNAPHTHALENE, 1,2,3,5,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,7.ALPHA.,8A.ALPHA.))-AKOS015903138
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 297
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
물리화학적 성질
- 끓는 점
- 129.5 °C · 129.5 °C(Press: 13 Torr)
- 밀도
- 0.9225 g/cm3 · 0.9225 g/cm3
- LogP
- 6.494 · 6.494 (est)
화학 및 산업
응용 분야
용도Eremophilene is a component of Alpinia oxyphylla essential oil used widely in the In vitro cytotoxicity of human cancer cell lines, and also with great potentials for the food and pharmaceutical industry.
공급사12 곳
普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
宁波万核化学科技有限公司+86-15827200700 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
湖北冠众通科技有限公司0716-7227299 13507251920 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海德加源生物科技有限公司18301711315 18301711315 · [email protected]
湖南瑞威尔生物科技有限公司18086085632 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
陕西缔都医药有限责任公司
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