기본 정보
- CAS
109008-25-5- 표준 SMILES
CC1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)C(C)C6=O)c(O)cc(O)c3c(O)c2C(=O)C1C- InChIKey
RHNVLFNWDGWACV-UHFFFAOYSA-N- 분자식
- C30H26O10
- 평균 분자량
- 546.5 g/mol
- 단동위원소 질량
- 546.15259702
개요
Chaetochromin A has been reported in Floropilus chiversii, Ustilaginoidea virens, and Collariella gracilis with data available.
이름 및 식별자
- 우선 이름
- (2R,2'R,3R,3'R,9S)-2,2',3,3'-Tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl(9,9'-bi-4H-naphtho(2,3-b)pyran)-4,4'-dione
- IUPAC
- 5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one
이름 및 동의어
Chaetochromin75514-37-35,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one(2R,2'R,3R,3'R,9S)-2,2',3,3'-Tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl[9,9'-bi-4H-naphtho[2,3-b]pyran]-4,4'-dione(2R,2'R,3R,3'R,9S)-2,2',3,3'-TETRAHYDRO-5,5',6,6',8,8'-HEXAHYDROXY-2,2',3,3'-TETRAMETHYL(9,9'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo(g)chromen-9-yl)-2,3-dihydrobenzo(g)chromen-4-oneRefChem:1049868YME4GS90I1Chaetochromin AIsochaetochromin B1NSC345647MLS000563176
이름 더 보기
MLS000756886CHEMBL162783SMR000470847(2R,2'R,3R,3'R,9S)-5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tetramethyl-2H,2'H-[9,9'-bibenzo[g]chromene]-4,4'(3H,3'H)-dione5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tetramethyl-2H,2'H-[9,9'-bibenzo[g]chromene]-4,4'(3H,3'H)-dioneNSC-345647(2R,2'R,3R,3'R,9R)-5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tetramethyl-2H,2'H-[9,9'-bibenzo[g]chromene]-4,4'(3H,3'H)-dione112965-18-1
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 927
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