2-(4-Bromo-but-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester

HCID 67010204

기본 정보

표준 SMILES
COC(=O)C(CC=CCBr)CC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O
InChIKey
FOFPUDHYVLQULX-UHFFFAOYSA-N
분자식
C22H27BrO6
평균 분자량
467.3 g/mol

이름 및 식별자

우선 이름
2-(4-Bromo-but-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester
IUPAC
methyl 2-(4-bromobut-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

이름 및 동의어

SCHEMBL1374252FOFPUDHYVLQULX-UHFFFAOYSA-N2-(4-bromo-but-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester

데이터베이스 식별자

PubChem CID
67010204

물성

구조 계산 물성

XLogP
5.1
극성 표면적
82.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
29

관련 반응

30건

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