기본 정보
- CAS
23515-88-0- 표준 SMILES
CC1=C[C@H]2[C@@H](CC1)C(C)=CC[C@H]2C(C)C- InChIKey
QMAYBMKBYCGXDH-SOUVJXGZSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
개요
(-)-alpha-amorphene is a member of the cadinene family of sesquiterpenes having a 4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene skeleton with 1S,4aR,8aS-stereochemistry. It is isolated from the essential oils of several plant species. It has a role as a plant metabolite. It is a cadinene and a polycyclic olefin.
이름 및 식별자
- 우선 이름
- (-)-alpha-Amorphene
- IUPAC
- (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
- 현지명
- 1α-이소프로필-4,7-디메틸-1,2,4aβ,5,6,8aβ-헥사히드로나프탈렌
- 영어명
- 1α-Isopropyl-4,7-dimethyl-1,2,4aβ,5,6,8aβ-hexahydronaphthalene
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
(-)-alpha-amorphene(1S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthaleneCHEBI:137533(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthaleneRefChem:67688.alpha.-Cadinene(-)-.alpha.-Cadinene.alpha.-Cadinene, (-)-SCHEMBL17627706Cadina-4,9-diene-, (-)-(1S,4aR,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthaleneQMAYBMKBYCGXDH-SOUVJXGZSA-N
이름 더 보기
1α-이소프로필-4,7-디메틸-1,2,4aβ,5,6,8aβ-헥사히드로나프탈렌(-)-α-Amorphene1α-Isopropyl-4,7-dimethyl-1,2,4aβ,5,6,8aβ-hexahydronaphthalene[1S,(-)]-1,2,4aβ,5,6,8aβ-Hexahydro-4,7-dimethyl-1α-(1-methylethyl)naphthaleneNaphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-
Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-6-alpha-cadina-4,9-diene, (-)-C21679[1s-(1a,4ab,8aa)]-1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-(1methylethyl)-naphthaleneNaphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aR)-
물성
구조 계산 물성
- XLogP
- 4.1
- 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
- 293
물리화학적 성질
- 끓는 점
- 271.5 · 271.5±30.0 °C(Predicted)
- 밀도
- 0.876 · 0.876±0.06 g/cm3(Predicted)
관련 반응
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