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기본 정보
- CAS
64421-27-8- 표준 SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O- InChIKey
XBGJTRDIWPEIMG-DUMNYRKASA-N- 분자식
- C17H26O10
- 평균 분자량
- 390.385 g/mol
- 단동위원소 질량
- 390.15259703
이름 및 식별자
- 우선 이름
- Methyl 1-(hexopyranosyloxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
- IUPAC
- Methyl (1S,4aS,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
- 영어명
- (1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
- 분자식
- C17H26O10
- 분자량
- 390.38
이름 및 동의어
MussaesideMussaenosideMethyl(1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate(1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl esterCyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-,methyl ester, (1S,4aS,7S,7aS)-Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, methyl ester, (1S,4aS,7S,7aS)-(1S,4aS,7S,7aS)-Methyl 7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
데이터베이스 식별자
- CAS
64421-27-8- PubChem CID
- 182423
- DTXSID
DTXSID60982994- ChEMBL
CHEMBL3622811- UNII
- G74LVE833Z
물성
물리화학적 성질
- 끓는 점
- 603.3 · 603.3±55.0 °C(Predicted)
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.8 · 12.80±0.70(Predicted)
화학 및 산업
공급사38 곳
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