(1S,4aR,5S,8aR)-5-[(2R,3S)-2,3-dihydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
기본 정보
- 표준 SMILES
C=C[C@](C)(O)[C@H](O)C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O- InChIKey
GGPPLWSUIOWFBI-JADWYGHVSA-N- 분자식
- C20H32O4
- 평균 분자량
- 336.5 g/mol
- 단동위원소 질량
- 336.2300595
개요
(1S,4aR,5S,8aR)-5-[(2R,3S)-2,3-dihydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid has been reported in Chloranthus henryi and Juniperus chinensis with data available.
이름 및 식별자
- 우선 이름
- (1S,4aR,5S,8aR)-5-[(2R,3S)-2,3-dihydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
- IUPAC
- (1S,4aR,5S,8aR)-5-[(2R,3S)-2,3-dihydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 542
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