기본 정보
- CAS
55576-64-2- 표준 SMILES
CCC(C)C(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(C)=O)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)C(C)C)c2O)c1O- InChIKey
IDKGXNVKGGQDOC-UHFFFAOYSA-N- 분자식
- C35H42O12
- 평균 분자량
- 654.7 g/mol
- 단동위원소 질량
- 654.26762677
이름 및 식별자
- 우선 이름
- Agrimol D
- IUPAC
- 1-[3-[(3-acetyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-5-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one
- 현지명
- 아그리몰D
- 영어명
- AgriMol D
- 분자식
- C35H42O12
- 분자량
- 654.7
이름 및 동의어
Agrimol D55576-64-21-[3-[(3-acetyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-5-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-oneDS-0027141-(3-(3-Acetyl-2,6-dihydroxy-4-methoxy-5-methylbenzyl)-5-(2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxyphenyl)-2-methylbutan-1-one1-[3-[(3-acetyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-5-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone아그리몰D1-Butanone, 1-[3-[(3-acetyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-5-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methyl-
데이터베이스 식별자
- CAS
55576-64-2- PubChem CID
- 102402554
- Nikkaji
- J2.438.645G
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 211 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,080
물리화학적 성질
- 밀도
- 1.32 · 1.320±0.06 g/cm3 (20 ºC 760 Torr)
화학 및 산업
공급사9 곳
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