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기본 정보
- CAS
4626-00-0- 표준 SMILES
CC1=C[C@H](/C=C(C)/C=C/C2=C(C)CCCC2(C)C)[C@@](C)(/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)[C@H](CO)[C@@H]1CO- InChIKey
NTTHYVALAYBGDV-WHFXJCNXSA-N- 분자식
- C40H60O2
- 평균 분자량
- 572.918 g/mol
- 단동위원소 질량
- 572.45933116
이름 및 식별자
- 우선 이름
- Kitol
- IUPAC
- {(1R,2S,5S,6R)-3,6-Dimethyl-5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)buta-1,3-dien-1-yl]-6-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]cyclohex-3-ene-1,2-diyl}dimethanol
- 현지명
- 키톨
- 영어명
- kitol
- 분자식
- C40H60O2
- 분자량
- 572.9
이름 및 동의어
키톨kitolKitol BKitol AVitamin A Impurity 36[1α,2α,5α(1E,3E),6β(1E,3E,5E)]-3,6-DiMethyl-5-[2-Methyl-4-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3-butadienyl]-6-[4-Methyl-6-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]-3-cyclohexene-1,2-diMethanol(1R,2S,5S,6R)-rel-3,6-DiMethyl-5-[(1E,3E)-2-Methyl-4-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3-butadienyl]-6-[(1E,3E,5E)-4-Methyl-6-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]-3-cyclohexene-1,2-diMethanol3-Cyclohexene-1,2-dimethanol, 3,6-dimethyl-5-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadienyl]-6-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]-, (1R,2S,5S,6R)-rel- (9CI)
데이터베이스 식별자
- CAS
4626-00-0- PubChem CID
- 6441296
- DTXSID
DTXSID801017010- UNII
- 111CFG4V2B
- Nikkaji
- J8.754H
물성
물리화학적 성질
- 녹는점
- 88 · 88-90° (Embree); 98-100° (Chatan); 72° (Tawara)
- 끓는 점
- 672.72 · 672.720±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.021 · 1.021±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 14.873 · 14.873±0.10(predicted)
화학 및 산업
응용 분야
용도Kitol is a natural retinol dimer obtained from mammalian liver oil. It is a provitamin A which can be converted to vitamin A.
공급사9 곳
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