기본 정보
- CAS
13902-83-5- 표준 SMILES
C=C1CCC2C(C)(C(=O)OC)CCCC2(C)C1CCC(C)CC(=O)OC- InChIKey
MMEXTNDBWOEMTB-UHFFFAOYSA-N- 분자식
- C22H36O4
- 평균 분자량
- 364.5 g/mol
- 단동위원소 질량
- 364.26135963
이름 및 식별자
- 우선 이름
- Methyl decahydro-5-(methoxycarbonyl)-beta,5,8a-trimethyl-2-methylene-1-naphthalenepentanoate
- IUPAC
- methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
- 현지명
- (5β,9α,10α)-Labd-8(17)-ene-15,19-이산디메틸에스테르
- 영어명
- (5β,9α,10α)-Labd-8(17)-ene-15,19-dioic acid dimethyl ester
- 분자식
- C22H36O4
- 분자량
- 364.51884
이름 및 동의어
13902-83-5RefChem:356626Methyl decahydro-5-(methoxycarbonyl)-beta,5,8a-trimethyl-2-methylene-1-naphthalenepentanoateLabd-8(20)-ene-15,18-dioic acid, dimethyl ester, (13R)-MMEXTNDBWOEMTB-UHFFFAOYSA-NDTXSID501123333methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate1-Naphthalenepentanoic acid, decahydro-5-(methoxycarbonyl)-.beta.,5,8a-trimethyl-2-methylene-, methyl ester, [1S-[1.alpha.(S*),4a.beta.,5.beta.,8a.alpha.]]-Methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate #Methyl decahydro-5-(methoxycarbonyl)-I(2),5,8a-trimethyl-2-methylene-1-naphthalenepentanoate(5β,9α,10α)-Labd-8(17)-ene-15,19-이산디메틸에스테르(5β,9α,10α)-Labd-8(17)-ene-15,19-dioic acid dimethyl ester
데이터베이스 식별자
- CAS
13902-83-5- PubChem CID
- 577915
- DTXSID
DTXSID501123333
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 554
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