기본 정보
- CAS
511-59-1- 표준 SMILES
C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CCC=C(C)C- InChIKey
PGBNIHXXFQBCPU-ILXRZTDVSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
- 단동위원소 질량
- 204.18780077
개요
(-)-beta-santalene is a sesquiterpene and carbobicyclic compound that is bicyclo[2.2.1]heptane in which the hydrogens at position 3 are substituted by a methylidene group, while the 2-exo- and 2-endo- hydrogens are subsitituted by 2-methylpent-2-en-5-yl and methyl groups, respectively (the 1S,2R,4R enantiomer). It has a role as a plant metabolite. It is a sesquiterpene, a polycyclic olefin, a bridged compound and a carbobicyclic compound.
이름 및 식별자
- 우선 이름
- beta-Santalene
- IUPAC
- (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
이름 및 동의어
BETA-SANTALENE(-)-beta-Santalene(-)-.beta.-Santalene(1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptaneCHEBI:10440DTXSID60883412RG725C564C(1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane(1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane.beta.-SantaleneEINECS 208-130-1(1S,2R,4R)-2-METHYL-3-METHYLENE-2-(4-METHYL-3-PENTEN-1-YL)BICYCLO(2.2.1)HEPTANE
이름 더 보기
Bicyclo(2.2.1)heptane, 2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-Bicyclo(2.2.1)heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S,2R,4R)-Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S,2R,4R)-Bicyclo(2.2.1)heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-(1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo(2.2.1)heptane(1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo(2.2.1)heptane(1S-exo)-2-Methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo(2.2.1)heptane
데이터베이스 식별자
- CAS
511-59-1- PubChem CID
- 10889018
- DTXSID
DTXSID60883412- ChEBI
CHEBI:10440- UNII
- RG725C564C
- EC Number
- 208-130-1
- Nikkaji
- J14.009K
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 293
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-
Hazard Classes and CategoriesNot Classified
화학 및 산업
용도 및 제조
General Manufacturing InformationBicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-: INACTIVE
관련 반응
1건
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