(3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
기본 정보
- CAS
132436-04-5- 표준 SMILES
C=C1CC[C@@H](Br)[C@]2(C)CC[C@@H](/C(C)=C/C=C/C(C)(C)O)C[C@@]12O- InChIKey
INRSPVMHHRRRRE-ZWZJRORHSA-N- 분자식
- C20H31BrO2
- 평균 분자량
- 383.4 g/mol
- 단동위원소 질량
- 382.15074
개요
4a(2H)-Naphthalenol, 1-bromooctahydro-6-((1E,3E)-5-hydroxy-1,5-dimethyl-1,3-hexadienyl)-8a-methyl-4-methylene-, (1R,4aR,6R,8aR)-rel-(-)- has been reported in Aplysia kurodai with data available.
이름 및 식별자
- 우선 이름
- (3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
- IUPAC
- (3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
이름 및 동의어
132436-04-54a(2H)-Naphthalenol, 1-bromooctahydro-6- ((1E,3E)-5-hydroxy-1,5-dimethyl-1,3- hexadienyl)-8a-methyl-4-methylene-, (1R,4aR,6R,8aR)-rel-(-)-
데이터베이스 식별자
- CAS
132436-04-5- PubChem CID
- 6442426
- Nikkaji
- J988.706G
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 534
관련 반응
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