기본 정보
- CAS
33952-78-2- 표준 SMILES
CCC1(C)CCC2=C(CCC3C(C)(C(=O)OC)CCCC23C)C1- InChIKey
LZUSHGHGVLPXFI-UHFFFAOYSA-N- 분자식
- C21H34O2
- 평균 분자량
- 318.5 g/mol
- 단동위원소 질량
- 318.25588033
이름 및 식별자
- 우선 이름
- Methyl pimar-8-en-18-oate
- IUPAC
- methyl 7-ethyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
- 영어명
- (1S)-7α-Ethyl-1,2,3,4,4a,5,6,7,8,9,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1β-phenanthrenecarboxylic acid methyl ester
- 분자식
- C21H34O2
- 분자량
- 318.49
이름 및 동의어
Methyl pimar-8-en-18-oateDTXSID9030218133952-78-2RefChem:1089630DTXCID80253315Methyl 8-pimaren-18-oateMethyl 8-isopimaren-18-oatePodocarp-8-en-15-oic acid, methyl esterNSC149536Methyl pimar-8-en-18-oate #LZUSHGHGVLPXFI-UHFFFAOYSA-NNSC149535
이름 더 보기
(1S)-7α-Ethyl-1,2,3,4,4a,5,6,7,8,9,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1β-phenanthrenecarboxylic acid methyl ester1-Phenanthrenecarboxylic acid, 7-ethyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, (1R,4aS,7S,10aR)-
Podocarp-8-en-15-oic acid, 13.alpha.-ethyl-13-methyl-, methyl esterNSC-149535NSC-1495361-Phenanthrenecarboxylic acid, 7-ethyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,7.beta.,10a.beta.)]-1-Phenanthrenecarboxylic acid,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1.alpha.,4a.beta.,7.beta.,10a.alpha.)]-1-Phenanthrenecarboxylic acid,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,7.beta.,10a.beta.)]-
데이터베이스 식별자
- CAS
33952-78-2、3582-25-0- PubChem CID
- 288361
- DTXSID
DTXSID90302181
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 534
물리화학적 성질
- 끓는 점
- 385.3 · 385.3±31.0 °C(Predicted)
- 밀도
- 1 · 1.00±0.1 g/cm3(Predicted)
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