기본 정보
- CAS
104263-85-6- 표준 SMILES
C=C1CCC2C(C)(C)CCCC2(C)C1C/C=C(/C=O)CC=O- InChIKey
TZCSIFOYBLPUIF-FRKPEAEDSA-N- 분자식
- C20H30O2
- 평균 분자량
- 302.5 g/mol
- 단동위원소 질량
- 302.2245802
개요
8(17),12-Labdadiene-15,16-dial is a diterpenoid.
이름 및 식별자
- 우선 이름
- 8(17),12-Labdadiene-15,16-dial
- IUPAC
- (2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]butanedial
이름 및 동의어
8(17),12-Labdadiene-15,16-dial(2E)-2-(2-(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)ethylidene)butanedial(2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)ethylidene]butanedialRefChem:1074589labdadieneSCHEMBL29390865CHEBI:170104TZCSIFOYBLPUIF-FRKPEAEDSA-NLabda-8beta(17),12E-diene-15,16-dial(+)-(E)-8(17),12-Labdadiene-15,16-dial(+)-(E)-8.beta.(17),12-Labdadiene-15,16-dial(2E)-2-[2-(5,5,8a-trimethyl-2-methylene-decalin-1-yl)ethylidene]butanedial
이름 더 보기
2-[2-(5,5,8a-Trimethyl-2-methylidenedecahydronaphthalen-1-yl)ethylidene]butanedial(2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]butanedial(E)-2-(2-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)succinaldehydeButanedial, [2-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethylidene]-, [1S-[1.alpha.(E),4a.beta.,8a.alpha.]]-Butanedial, [2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethylidene]-, (2E)-Butanedial, 2-[2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethylidene]-, (2E)-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 34.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 486
화학 및 산업
약리 정보
Cellular LocationsExtracellular
관련 반응
0건
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