methyl(3aRS,4SR,7RS,7aRS)-2-benzyl-7-(4-isopropylphenyl)-7-hydroxy-4-phenyloctahydroisoindole-3a-carboxylate

HCID 86755055

기본 정보

표준 SMILES
COC(=O)C12CN(Cc3ccccc3)CC1C(O)(c1ccc(C(C)C)cc1)CCC2c1ccccc1
InChIKey
VKYCRJMXFPPRKE-UHFFFAOYSA-N
분자식
C32H37NO3
평균 분자량
483.6 g/mol

이름 및 식별자

우선 이름
methyl(3aRS,4SR,7RS,7aRS)-2-benzyl-7-(4-isopropylphenyl)-7-hydroxy-4-phenyloctahydroisoindole-3a-carboxylate
IUPAC
methyl 2-benzyl-7-hydroxy-4-phenyl-7-(4-propan-2-ylphenyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate

이름 및 동의어

VKYCRJMXFPPRKE-UHFFFAOYSA-Nmethyl (3aRS,4SR,7RS,7aRS)-2-benzyl-7-(4-isopropylphenyl)-7-hydroxy-4-phenyloctahydroisoindole-3a-carboxylatemethyl(3aRS,4SR,7RS,7aRS)-2-benzyl-7-(4-isopropylphenyl)-7-hydroxy-4-phenyloctahydroisoindole-3a-carboxylate

데이터베이스 식별자

PubChem CID
86755055

물성

구조 계산 물성

XLogP
5.5
극성 표면적
49.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
36

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5건

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