기본 정보
- CAS
16462-65-0- 표준 SMILES
COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@@](O)(C(=O)O)[C@](O)(CO)C2- InChIKey
PGFBYAIGHPJFFJ-PWIZWCRZSA-N- 분자식
- C20H22O10
- 평균 분자량
- 422.4 g/mol
- 단동위원소 질량
- 422.12129689
개요
Plicatic acid is a lignan.
이름 및 식별자
- 우선 이름
- Plicatic acid
- IUPAC
- (1S,2S,3R)-1-(3,4-dihydroxy-5-methoxyphenyl)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,4-dihydronaphthalene-2-carboxylic acid
- 현지명
- 플라이트산
- 영어명
- plicatic acid
- 분자식
- C20H22O10
- 분자량
- 422.38
이름 및 동의어
Plicatic acid16462-65-0G3VF11QD86DTXSID40894748(1S,2S,3R)-1-(3,4-dihydroxy-5-methoxyphenyl)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,4-dihydronaphthalene-2-carboxylic acidRefChem:174895DTXCID201324304(1S-(1 alpha,2 alpha,3 beta))-1-(3,4-dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-2-naphthalene carboxylic acidNSC-72234Dust, western red cedarNSC 72234BRN 2712741
이름 더 보기
플라이트산(1S)-1α-(3,4-Dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2α,3β,7-trihydroxy-3-hydroxymethyl-6-methoxy-2-naphthalenecarboxylic acid2-Naphthalenecarboxylic acid, 1-(3,4-dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-, (1S,2S,3R)-
AI3-28401PLICATIC ACID [MI]UNII-G3VF11QD86SCHEMBL452275CHEBI:8272(1S,2S,3R)-1-(3,4-dihydroxy-5-methoxyphenyl)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid(1S-(1alpha,2alpha,3beta))-1-(3,4-Dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-2-naphthalene carboxylic acid1-(3,4-Dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-2-naphthalenecarboxylic acid (1S-(1alpha,2alpha,3beta))-
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 631
물리화학적 성질
- 산도 계수 (pKa)
- 3 · 3.0(at 25℃)
화학 및 산업
용도 및 제조
Household ProductsInformation on 4 consumer products that contain Western red cedar extract/dust in the following categories is provided:
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