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기본 정보
- CAS
20213-24-5- 표준 SMILES
CCCC(=O)C1=C(O)C(Cc2c(O)c(Cc3c(OC)cc(O)c(C(=O)CCC)c3O)c(O)c(C(=O)CCC)c2O)=C(O)C(C)(C)C1=O- InChIKey
DZHPZVNEJQJWQF-UHFFFAOYSA-N- 분자식
- C35H42O12
- 평균 분자량
- 654.709 g/mol
- 단동위원소 질량
- 654.26762678
이름 및 식별자
- 우선 이름
- 2-Butanoyl-4-({3-butanoyl-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
- IUPAC
- 2-Butanoyl-4-({3-butanoyl-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
- 현지명
- 트리스데스아스피딘BBB
- 영어명
- Trisdesaspidin BBB
- 분자식
- C35H42O12
- 분자량
- 654.7
이름 및 동의어
트리스데스아스피딘BBBTridesaspidinTrisdesaspidinTrisdesaspidin BBB2-[2,4-Dihydroxy-3-(1-oxobutyl)-6-methoxyphenylmethyl]-4-(1-oxobutyl)-6-[2,4,6-trioxo-3-(1-oxobutyl)-5,5-dimethylcyclohexylmethyl]cyclohexane-1,3,5-trione2-[[3-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one2,5-Cyclohexadien-1-one, 2-[[3-[[2,4-dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
데이터베이스 식별자
- CAS
20213-24-5- PubChem CID
- 177118
- DTXSID
DTXSID60942295- Nikkaji
- J15.503I
물성
물리화학적 성질
- 녹는점
- 148 · 148-152 °C
- 끓는 점
- 901.468 · 901.468±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.361 · 1.361±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.5 · 4.500±1.00(predicted)
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