4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-, (S)-
기본 정보
- CAS
82051-52-3- 표준 SMILES
COc1ccc(O)c([C@@H]2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)c1- InChIKey
LQXKAIKFJZYCKC-AWEZNQCLSA-N- 분자식
- C18H18O6
- 평균 분자량
- 330.3 g/mol
- 단동위원소 질량
- 330.11033829
개요
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-, (S)- has been reported in Dryopteris crassirhizoma and Coryphopteris japonica with data available.
이름 및 식별자
- 우선 이름
- 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-, (S)-
- IUPAC
- (2S)-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
- 영어명
- (2S)-2,3-Dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one
- 분자량
- 0
이름 및 동의어
82051-52-34H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-, (S)-DTXSID20231551RefChem:100670(2S)-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-oneDTXCID50154042CHEMBL4161011(2S)-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one(S)-5,7-Dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchroman-4-oneBDBM50278270(2S)-5,7-Dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-2,3-dihydro-4H-1-benzopyran-4-oneMethoxymatteucin
이름 더 보기
(2S)-2,3-Dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 468
관련 반응
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