rel-(1R,2R,3R)-1-Ethyl-2,3-dihydro-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-1H-indene
기본 정보
- CAS
80434-33-9- 표준 SMILES
CC[C@@H]1c2c(OC)cc(OC)c(OC)c2[C@H](c2cc(OC)c(OC)cc2OC)[C@H]1C- InChIKey
ZPOQFZFDKXZAGL-RXSFTSLZSA-N- 분자식
- C24H32O6
- 평균 분자량
- 416.5 g/mol
- 단동위원소 질량
- 416.21988874
이름 및 식별자
- 우선 이름
- rel-(1R,2R,3R)-1-Ethyl-2,3-dihydro-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-1H-indene
- IUPAC
- (1S,2S,3S)-1-ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
- 영어명
- gamma-Diasarone
- 분자식
- C24H32O6
- 분자량
- 416.51
이름 및 동의어
80434-33-9rel-(1R,2R,3R)-1-Ethyl-2,3-dihydro-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-1H-indeneRefChem:379044gamma-DiasaroneDiasarone 2Rel-(1S,2S,3S)-1-ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-DiasaroneDiasarone, gamma-HX5LD59PRBorb1682536DTXSID701115784TN4095
이름 더 보기
γ-Diasaroneγ-Diasarone(1S,2S,3S)-1-Ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)indane
AKOS032962398FS-9047(1S,2S,3S)-1-ETHYL-4,5,7-TRIMETHOXY-2-METHYL-3-(2,4,5-TRIMETHOXYPHENYL)-2,3-DIHYDRO-1H-INDENECS-00244512,3-Dihydro-4,5,7-trimethoxy-1-ethyl-2-methyl-3-(2,4,5-trimethoxyphenyl)indene1H-Indene, 1-ethyl-2,3-dihydro-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-, (1alpha,2beta,3alpha)-1H-Indene, 1-ethyl-2,3-dihydro-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-, (1R,2R,3R)-rel-
데이터베이스 식별자
- CAS
80434-33-9- PubChem CID
- 91895362
- DTXSID
DTXSID701115784- UNII
- HX5LD59PRB
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 55.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 530
물리화학적 성질
- 녹는점
- 84 · 84-85 °C
- 끓는 점
- 495.4 · 495.4±45.0 °C(Predicted)
- 밀도
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
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