기본 정보
- CAS
60132-70-9- 표준 SMILES
CC1=CCC2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1- InChIKey
MCTDXPDDZLFJHR-UHFFFAOYSA-N- 분자식
- C24H30O4
- 평균 분자량
- 382.5 g/mol
- 단동위원소 질량
- 382.21440943
개요
(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone has been reported in Ferula badrakema, Ferula foetidissima, and other organisms with data available.
이름 및 식별자
- 우선 이름
- 7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one
- IUPAC
- 7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one
- 영어명
- (+)-7-[(1,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-2,5,5,8a-tetramethylnaphthalen-1-yl)methoxy]-2H-1-benzopyran-2-one
- 분자식
- C24H30O4
- 분자량
- 382.49
이름 및 동의어
(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-oneMogoltacin7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-2H-chromen-2-oneOprea1_053334orb3171386AKOS001581177AKOS021609395NCGC00321441-01(-)-7-[(1,4,4A,5,6,7,8,8a-octahydro-6-hydroxy-2,5,5,8a-tetramethylnaphthalen-1-yl)methoxy]-2h-1-benzopyran-2-oneDB-289584AB01316775-02
이름 더 보기
Feropolidin(+)-Feropolidin(+)-7-[(1,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-2,5,5,8a-tetramethylnaphthalen-1-yl)methoxy]-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 7-[(1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)methoxy]- (9CI)
T12913860018-29-3NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 678
실험 및 물리화학적 성질
Melting Point71 - 72 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsExtracellular
관련 반응
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