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기본 정보
- CAS
1186295-42-0- 표준 SMILES
COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(=O)OC2- InChIKey
QSPXJODRMPWBBL-YKNZQUTJSA-N- 분자식
- C32H40O15
- 평균 분자량
- 664.657 g/mol
- 단동위원소 질량
- 664.23672058
이름 및 식별자
- 우선 이름
- Methyl (4E)-6-{6-methoxy-7-methyl-3-oxo-4-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-1,3-dihydro-2-benzofuran-5-yl}-4-methylhex-4-enoate
- IUPAC
- Methyl (4E)-6-{6-methoxy-7-methyl-3-oxo-4-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-1,3-dihydro-2-benzofuran-5-yl}-4-methylhex-4-enoate
- 영어명
- (4E)-6-[1,3-Dihydro-6-Methoxy-7-Methyl-3-oxo-4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-5-isobenzofuranyl]-4-Methyl-4-hexenoic Acid Methyl Ester
- 분자식
- C32H40O15
- 분자량
- 664.65
이름 및 동의어
Mycophenolic acid methyl ester phenolic 6-(2,3,4,6-tetra-O-Acetyl-β-D-glucoside)Mycophenolic Acid Methyl Ester Phenolic 6-(2,3,4,6-tetra-O-Acetyl-β-D-glucoside), CAS 1186295-42-0(4E)-6-[1,3-Dihydro-6-Methoxy-7-Methyl-3-oxo-4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-5-isobenzofuranyl]-4-Methyl-4-hexenoic Acid Methyl Ester4-Hexenoic acid, 6-[1,3-dihydro-6-methoxy-7-methyl-3-oxo-4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-5-isobenzofuranyl]-4-methyl-, methyl ester, (4E)-
데이터베이스 식별자
- CAS
1186295-42-0- PubChem CID
- 71750877
- DTXSID
DTXSID50858154- Nikkaji
- J2.736.676G
물성
물리화학적 성질
- 녹는점
- 116 · 116-117 °C
- 끓는 점
- 735.9 · 735.9±60.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 용해도
- 디클로로메탄 에 용해됨
- 물리적 상태
- 기름
- 색상
- 연노랑
화학적 성질
Light Yellow Oil
화학 및 산업
응용 분야
용도Mycophenolic Acid Methyl Ester Phenolic 6-(2,3,4,6-tetra-O-Acetyl-β-D-glucoside) can be used in the preparation of a Mycophenolic acid metabolite.
공급사3 곳
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