기본 정보
- CAS
21747-46-6- 표준 SMILES
CC1=C2CC[C@@H](C)[C@H]2[C@H]2[C@@H](CC1)C2(C)C- InChIKey
WGTRJVCFDUCKCM-FMKGYKFTSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
- 단동위원소 질량
- 204.18780077
개요
Viridiflorene is a carbotricyclic sesquiterpene obtained from several natural sources, including Australian Tea Tree oil (Melaleuca alternifolia.). It is a sesquiterpene and a carbotricyclic compound.
이름 및 식별자
- 우선 이름
- Viridiflorene
- IUPAC
- (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
- 영어명
- (+)-Ledene
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
(+)-LedeneViridifloreneLedene21747-46-6Leden236ZZ41F70(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azuleneCHEBI:63444DTXSID60944355(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene1H-Cycloprop(e)azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (+)-(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa(e)azulene
이름 더 보기
ViridfloreneLEDENE, (+)-(RG)Guaiazulene Impurity 495.0% (sum of enantiomers, GC)(+)-LEDENE 95+% MIXTURE OF ISOMERS(+)-Ledene >=95.0% (sum of enantiomers, GC)(1S,2R,3R,11R)-3,3,7,11-TETRAMETHYL-TRICYCLO[6.3.0.0(2.4)]UNDEC-7-ENE
(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa(e)azuleneRefChem:1101009DTXCID901476431244-565-3Varidiflorene(+)-1a,2,3,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene; Leden; Viridiflorene(+)-viridifloreneEINECS 244-565-3
데이터베이스 식별자
- CAS
21747-46-6- PubChem CID
- 10910653
- DTXSID
DTXSID60944355- ChEBI
CHEBI:63444- UNII
- 236ZZ41F70
- EC Number
- 244-565-3
- Nikkaji
- J15.850J
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 321
물리화학적 성질
- 녹는점
- 269 °C · 269°C
- 끓는 점
- 268 · 268-270 °C (lit.)
- 밀도
- 0.927 g/mL · 0.927 g/mL at 20 °C (lit.)
- 굴절률
- 20 · n20/D 1.504
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 에탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색
- BRN
- 2554786 · 2554786
- InChI
- 1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3/t10-,12-,13-,14-/m1/s1
- InChIKey
- WGTRJVCFDUCKCM-FMKGYKFTSA-N
- SMILES
- C[C@@H]1CCC2=C(C)CC[C@@H]3[C@H]([C@H]12)C3(C)C
- LogP
- 6.447 · 6.447 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- safety_code
- 23-24/25
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요(+)-Ledene, also called leden or viridiflorene, is an organic compound that belongs to the group of 5, 10-cycloaromadendrane sesquiterpenoids. These compounds are derived from the aromadendrane skeleton through a cyclization reaction between carbon atoms 5 and 10. (+)-Ledene is mainly found in saliva and is considered to have low solubility in water and a relatively neutral nature. In cellular environments, (+)-ledene is predominantly present in the cell membrane (predicted based on logP) and cytoplasm.
용도(+)-Ledene is an essential oil that is synthesized by viridiflorene synthase. It has been studied as an antioxidant, antimicrobial, antibiofilm and to treat various cancers.
일반 설명(+)-Ledene is a naturally occurring sesquiterpene that can be prepared from (+)-aromadendrene via isomerization.
추가 설명
정의ChEBI: Viridiflorene is a carbotricyclic sesquiterpene obtained from several natural sources, including Australian Tea Tree oil (Melaleuca alternifolia.) It is a sesquiterpene and a carbotricyclic compound.
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