Picras-3-en-21-oicacid,13-epoxy-20-trihydroxy-3,11,12-[(15-하이드록시-4-디메틸-3-옥소-4-펜테닐)옥시]-1-디옥소-,메틸에스테르,[2.베타.,2,16.알파.,11.베타.(E)]-
Picras-3-en-21-oic acid, 13, 20-epoxy-3,11,12-trihydroxy-15-[ (4-hydro xy-3, 4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11. beta.,12.alpha.,15.beta.(E)]-
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기본 정보
- CAS
25514-30-1- 표준 SMILES
COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\C)C(C)(C)O)[C@@H]24- InChIKey
KCVFVYXSNLKEHU-UIJGDLPGSA-N- 분자식
- C28H36O12
- 평균 분자량
- 564.58 g/mol
이름 및 식별자
- 우선 이름
- Picras-3-en-21-oic acid, 13, 20-epoxy-3,11,12-trihydroxy-15-[ (4-hydro xy-3, 4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11. beta.,12.alpha.,15.beta.(E)]-
- 현지명
- Picras-3-en-21-oicacid,13-epoxy-20-trihydroxy-3,11,12-[(15-하이드록시-4-디메틸-3-옥소-4-펜테닐)옥시]-1-디옥소-,메틸에스테르,[2.베타.,2,16.알파.,11.베타.(E)]-
- 영어명
- Picras-3-en-21-oic acid, 13, 20-epoxy-3,11,12-trihydroxy-15-[ (4-hydro xy-3, 4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11. beta.,12.alpha.,15.beta.(E)]-
- 분자식
- C28H36O12
- 분자량
- 564.58
이름 및 동의어
Picras-3-en-21-oicacid,13-epoxy-20-trihydroxy-3,11,12-[(15-하이드록시-4-디메틸-3-옥소-4-펜테닐)옥시]-1-디옥소-,메틸에스테르,[2.베타.,2,16.알파.,11.베타.(E)]-13,20-Epoxy-3,11β,12α-trihydroxy-15β-[[(E)-4-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-2,16-dioxopicras-3-en-21-oic acid methyl esterPicras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxo-, (11β,12α,15β)-Picras-3-en-21-oic acid, 13, 20-epoxy-3,11,12-trihydroxy-15-[ (4-hydro xy-3, 4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11. beta.,12.alpha.,15.beta.(E)]-
데이터베이스 식별자
- CAS
25514-30-1- PubChem CID
- 5315509
- ChEMBL
CHEMBL251697- Nikkaji
- J20.265G
물성
물리화학적 성질
- 끓는 점
- 779.7 · 779.7±60.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.81 · 8.81±0.70(Predicted)
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