기본 정보
- CAS
16729-22-9- 표준 SMILES
CC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)CCO- InChIKey
LWSSYLJSLZBNKE-YIAYGWAFSA-N- 분자식
- C20H30O
- 평균 분자량
- 286.5 g/mol
- 단동위원소 질량
- 286.22966558
이름 및 식별자
- 우선 이름
- 4,14-Retro-retinol
- IUPAC
- (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol
- 영어명
- (3E,5E,7E)-9-[(3E)-2,4,4-Trimethyl-1-cyclohexen-3-ylidene]-3,7-dimethylnona-3,5,7-trien-1-ol
- 분자식
- C20H30O
- 분자량
- 286.45
이름 및 동의어
4,14-Retro-retinol16729-22-9DTXSID80418821RefChem:284383DTXCID40369668LWSSYLJSLZBNKE-YIAYGWAFSA-Nall-trans-Retro Retinolretro-Vitamin A(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-olVitamin A EP Impurity CRetroretinolSCHEMBL16186107
이름 더 보기
Vitamin A Impurity CRetinol EP Impurity Call-trans-retro-Vitamin AVitamin A impurity C (EP）all-trans-Retro Retinol DiscontinuedVitamin A Impurity C (retro-Vitamin A)Vitamin A Impurity 3 (retro-Vitamin A)
FR59825Vitamin A EP Impurity C(retro-vitamin A)CS-0166198Vitamin A EP Impurity C(Mixture of E/Z Isomers)(6Z,8E,10E,12E)-4,5-Didehydro-5,14-dihydroretinol(3E,5E,7E,9Z)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol (Vitamin Impurity(6Z,8E,10E,12E)-4,5,6,7,8,9,10,11,12,13-Decadehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinol #retro-Vitamin A (7CI); 4,14-Retroretinol; all-trans-Retroretinol; retro-Vitamin A, all-trans-; Retroretinol; (5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol
데이터베이스 식별자
- CAS
16729-22-9- PubChem CID
- 5378255
- DTXSID
DTXSID80418821
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 496
물리화학적 성질
- 끓는 점
- 422.072 · 422.072±14.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 0.955 · 0.955±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 14.825 · 14.825±0.10(predicted)
- InChI
- InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-12,21H,7,13-15H2,1-5H3/b8-6+,16-11+,17-9+,19-12-
- InChIKey
- LWSSYLJSLZBNKE-LPWVNZKKSA-N
- SMILES
- C(O)C/C(/C)=C/C=C/C(/C)=C/C=C1\C(C)(C)CCC=C\1C
화학 및 산업
응용 분야
용도A degradation product of Vitamin A (R252000). Vitamin A impurity.
제조 방법
생산 방법Retro-vitamin A is obtained by treatment of retinol in the presence of concentrated hydrobromic acid. In the case of retinoic acid and retinal, reisomerization is possible after conversion to appropriate derivatives such as the acid chloride or the hydroquinone adduct.
상·하류 제품 정보
상류 원료
공급사25 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…