Levopimaric acid

HCID 221062

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 79-54-9
표준 SMILES: CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O
InChIKey: RWWVEQKPFPXLGL-ONCXSQPRSA-N
분자식: C20H30O2
평균 분자량: 302.5 g/mol
단동위원소 질량: 302.2245802

개요

L-Pimaric acid is a diterpenoid.

이름 및 식별자

우선 이름: Levopimaric acid
IUPAC: (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid
영어명: (1R,4aS,4bR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydro phenanthrene-1-carboxylic acid
분자식: C20H30O2
분자량: 302.45

이름 및 동의어

Levopimaric acidl-Pimaric acid79-54-9l-Sapietic acidbeta-Pimaric acid.beta.-Pimaric acid(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acidUNII-6073C2A77Idelta6,8(14)-Abietadienoic acidNSC 4827NSC-4827.DELTA.6,8(14)-Abietadienoic acid

이름 더 보기

LevopimaricLAEVOPIMARICACID(-)-Sapietic acidΔ6,8(14)-Abietadienoic Acid(-)-Abieta-8(14),12-dien-18-oic acid

6073C2A77I(-)-LEVOPIMARIC ACIDLEVOPIMARIC ACID [MI]DTXSID2087852613-isopropylpodocarpa-8(14),12-dien-15-oic acidPodocarpa-8(14),12-dien-15-oic acid, 13-isopropyl-(1R,4aR,4bS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,9,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, (1R,4AR,4BS,10AR)-

데이터베이스 식별자

CAS: 79-54-9
PubChem CID: 221062
DTXSID: DTXSID20878526
ChEMBL: CHEMBL5401505
ChEBI: CHEBI:29615
UNII: 6073C2A77I
Nikkaji: J4.233A

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 542

물리화학적 성질

녹는점: 150 ° · 150°
끓는 점: 383.47 °C · 383.47°C (rough estimate)
밀도: 1.0434 · 1.0434 (rough estimate)
굴절률: 1.48 · 1.4800 (estimate)
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.68 · 4.68±0.60(Predicted)
색상: 흰색에서 황백색까지
안정성: 공기에 민감한
LogP: 6.274 · 6.274 (est)
EPA: 1 · 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1.alpha.,4a.beta., 4b.alpha.,10a.alpha.))- (79-54-9)

화학 및 산업

응용 분야

용도Levopimaric Acid is a major component of pine oleoresin. It is an abietane-type of diterpene resin acid and has antibacterial, cardiovascular, and antioxidant properties.