기본 정보
- CAS
400603-95-4- 표준 SMILES
COc1cc(O)ccc1CCC(c1ccc(O)cc1)c1cc(CCC(=O)c2ccc(O)cc2)c(O)cc1O- InChIKey
SFIYEXDIBBOYMW-UHFFFAOYSA-N- 분자식
- C31H30O7
- 평균 분자량
- 514.6 g/mol
- 단동위원소 질량
- 514.19915329
개요
See also: Cochinchinenin (annotation moved to).
이름 및 식별자
- 우선 이름
- 3-(2,4-Dihydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)phenyl)-1-(4-hydroxyphenyl)propan-1-one
- IUPAC
- 3-[2,4-dihydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]phenyl]-1-(4-hydroxyphenyl)propan-1-one
- 현지명
- 코친신닌
- 영어명
- COCHINCHINENIN
- 분자식
- C31H30O7
- 분자량
- 514.57
이름 및 동의어
Cochinchinenin400603-95-43-(2,4-Dihydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)phenyl)-1-(4-hydroxyphenyl)propan-1-one3-[2,4-dihydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]phenyl]-1-(4-hydroxyphenyl)propan-1-one3-(2,4-Dihydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-propyl)phenyl)-1-(4-hydroxyphenyl)propan-1-one3-{2,4-dihydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]phenyl}-1-(4-hydroxyphenyl)propan-1-oneC31H30O7orb105656SCHEMBL28001023DTXSID60415696ARA60395MFCD07781422
이름 더 보기
코친신닌Dracaena DraconisCOCHINCHINENIN USP/EP/BP3-(2,4-Dihydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-propyl)phenyl)-1-(4-hydr3-(2,4-Dihydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-propyl)phenyl)-1-(4-hydroxy3-[2,4-Dihydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]phenyl]-1-(4-hydroxyphenyl)-1-propanone1-Propanone,3-[2,4-dihydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]phenyl]-1-(4-hydroxyphenyl)-
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 715
물리화학적 성질
- 끓는 점
- 785 · 785.0±60.0 °C(Predicted)
- 밀도
- 1.325 · 1.325±0.06 g/cm3 (20 ºC 760 Torr)
- 산도 계수 (pKa)
- 8.07 · 8.07±0.15(Predicted)
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