기본 정보
- CAS
534-61-2- 표준 SMILES
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O- InChIKey
CWVRJTMFETXNAD-HLSYRSCKSA-N- 분자식
- C16H18O9
- 평균 분자량
- 354.31 g/mol
- 단동위원소 질량
- 354.09508215
개요
E-γ-curcumen-12-ol has been reported in Hoya australis with data available.
이름 및 식별자
- 우선 이름
- (1S,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
- IUPAC
- (1S,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
- 영어명
- [1S-(1alpha,3beta,4beta,5alpha)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
- 분자식
- C16H18O9
- 분자량
- 354.31
이름 및 동의어
(1S,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4S,5R)-(1S,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid(1S,3R,4S,5R)-3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acidIsochlorogenicIsochlorogenicaciIsochlorogensaureISOCHLOROGENIC ACID A(RG)3-O-Caffeoylquinic acid methyester1S-(1?,3?,4?,5?)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid(1S)-3β-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1α,4β,5α-trihydroxycyclohexane-1β-carboxylic acidCyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4S,5R)-
이름 더 보기
1S-(1alpha,3beta,4beta,5alpha)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 534
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 665 · 665.0±55.0 °C(Predicted)
- 밀도
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- 용해도
- 51.6 mg/ml · >51.6mg/ml in DMSO
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 3.91 · 3.91±0.50(Predicted)
- 색상
- 하얀색
- LogP
- -0.356 · -0.356 (est)
화학 및 산업
공급사2 곳
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
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