기본 정보
- CAS
68901-11-1- 표준 SMILES
CC(C)=CCC1=C([O-])C(CC(=O)C(C)C)=C([O-])C(O)(CC=C(C)C)C1=O.[Pb+2]- InChIKey
LTHQZDLUYDEQRS-ZMBIFBSDSA-M- 분자식
- C21H28O5Pb
- 평균 분자량
- 567 g/mol
- 단동위원소 질량
- 568.17033
이름 및 식별자
- 우선 이름
- (r)-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)cyclohexa-2,4-dien-1-one, lead salt
- IUPAC
- 6-hydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)-5-oxocyclohexa-1,3-diene-1,3-diolate;lead(2+)
- 영어명
- (R)-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)cyclohexa-2,4-dien-1-one, lead salt
- 분자식
- C21H28O5Pb
- 분자량
- 567.64402
이름 및 동의어
(R)-3,5,6-Trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)cyclohexa-2,4-dien-1-one, lead saltRefChem:407246272-654-768901-11-12,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-2-oxobutyl)-, lead salt, (6R)-Humulone, lead saltEINECS 272-654-7RVQXHSQAZNKBNW-UHFFFAOYSA-L2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-2-oxobutyl)-, lead salt (1:?), (6R)-6-hydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)-5-oxocyclohexa-1,3-diene-1,3-diolate(6R)-3,5,6β-Trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-2-oxobutyl)-2,4-cyclohexadiene-1-one/lead,(1:x) salt
데이터베이스 식별자
- CAS
68901-11-1- PubChem CID
- 111411
- EC Number
- 272-654-7
물성
구조 계산 물성
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 711
물리화학적 성질
- EPA
- 2 · 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-2-oxobutyl)-, lead salt, (6R)- (68901-11-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationRestricted substance: (R)-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)cyclohexa-2,4-dien-1-one, lead salt
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-2-oxobutyl)-, lead salt (1:?), (6R)-: INACTIVE
관련 반응
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