기본 정보
- 표준 SMILES
CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2- InChIKey
MLBYBBUZURKHAW-MISYRCLQSA-N- 분자식
- C20H30O2
- 평균 분자량
- 302.5 g/mol
- 단동위원소 질량
- 302.2245802
개요
Palustric acid is a diterpenoid.
이름 및 식별자
- 우선 이름
- Palustric acid
- IUPAC
- (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
이름 및 동의어
PALUSTRIC ACID1945-53-5PalustrinsaureNSC 148945Abieta-8,13-dien-18-oic acidSureCN151741Podocarpa-8,13-dien-15-oic acid, 13-isopropyl-A2QAG30V3TC12077(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylic acid(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
이름 더 보기
AC1L9EWTUNII-A2QAG30V3TNSC-1489451-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ass,10aa)]-; Palustric acid (6CI); Podocarpa-8,13-dien-15-oic acid, 13-isopropyl- (8CI); (1R,4aS,10aR)-1,2,3,4,4a,5,6,9,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid; 8,13-Abietadien-18-oic acid; NSC 148945PALUSTRIC ACID [MI]SCHEMBL151741orb1691376CHEBI:29660
데이터베이스 식별자
- CAS
1945-53-5- PubChem CID
- 443613
- DTXSID
DTXSID90858759- ChEBI
CHEBI:29660- UNII
- A2QAG30V3T
- Nikkaji
- J12.734E
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 554
관련 반응
1건
연결된 노트
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