기본 정보
- CAS
32111-52-7- 표준 SMILES
COC(=O)C1(C)CCCC2(C)C1CCC1(O)C(O)C(C(C)C)=CCC21- InChIKey
VZUUIOHQORPRQK-UHFFFAOYSA-N- 분자식
- C21H34O4
- 평균 분자량
- 350.5 g/mol
- 단동위원소 질량
- 350.24570956
이름 및 식별자
- 우선 이름
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8,8a-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester
- IUPAC
- methyl 8,8a-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
- 영어명
- (1R)-1,2,3,4,4a,4bα,5,8,8a,9,10,10aα-Dodecahydro-8α,8aα-dihydroxy-1,4aβ-dimethyl-7-isopropylphenanthrene-1α-carboxylic acid methyl ester
- 분자식
- C21H34O4
- 분자량
- 350.49
이름 및 동의어
NSC1461881-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8,8a-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester32111-52-7NSC 1461881-Phenanthrenecarboxylic acid der.34217-14-6DTXSID50953991NSC146192NSC-146188NSC-146192Methyl 8,14-dihydroxyabiet-12-en-18-oate(1R)-1,2,3,4,4a,4balpha,5,8,8a,9,10,10aalpha-Dodecahydro-8alpha,8aalpha-dihydroxy-1,4abeta-dimethyl-7-isopropylphenanthrene-1alpha-carboxylic acid methyl ester
이름 더 보기
(1R)-1,2,3,4,4a,4bα,5,8,8a,9,10,10aα-Dodecahydro-8α,8aα-dihydroxy-1,4aβ-dimethyl-7-isopropylphenanthrene-1α-carboxylic acid methyl ester1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8,8a-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1α,4aβ,4bα,8α,8aα,10aα)]- (9CI)1-Phenanthrenecarboxylic acid, 1,2,3,4,4A,4B,5,8,8A,9,10,10A-dodecahydro-8,8A-dihydroxy-1,4A-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4A.beta.,4B.alpha.,8.alpha.,8A.alpha.,10A.alpha.)]-
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 582
물리화학적 성질
- 끓는 점
- 435.6 · 435.6±45.0 °C(Predicted)
- 밀도
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.91 · 13.91±0.70(Predicted)
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