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기본 정보
- CAS
88477-80-9- 표준 SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C=CC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC- InChIKey
QEAUOZOEMLMFLN-PSCMOPHJSA-N- 분자식
- C42H51NO16
- 평균 분자량
- 825.861 g/mol
- 단동위원소 질량
- 825.32078455
이름 및 식별자
- 우선 이름
- Methyl 2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
- IUPAC
- Methyl (1R,2R,4S)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
- 영어명
- methyl (1R,2R,4S)-4-[(2S,4S,5S,6S)-4-dimethylamino-5-[(2S,4S,5R,6S)-4-hydroxy-6-methyl-5-[[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
- 분자식
- C42H51NO16
- 분자량
- 825.85
이름 및 동의어
Cinerubin yBrn 6046128Pyrraculomycinmethyl (1R,2R,4S)-4-[(2S,4S,5S,6S)-4-dimethylamino-5-[(2S,4S,5R,6S)-4-hydroxy-6-methyl-5-[[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)-1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,10-tetrahydroxy-4-((2,3,6-trideoxy-4-o-(2,6-dideoxy-4-o-((2R-trans)-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranoxyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-
물성
물리화학적 성질
- 끓는 점
- 932.3 · 932.3±65.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.2 · 6.20±0.70(Predicted)
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