기본 정보
- CAS
150050-21-8- 표준 SMILES
CC1OC(O[C@@]2(C)CC(=O)[C@]3(O)C4=C(C=C[C@]3(O)C2)C(=O)c2c(ccc(C3CCC(OC5CCC(O)C(C)O5)C(C)O3)c2O)C4=O)C=CC1=O- InChIKey
MCDSLJCOWVFKEL-YBKKMURLSA-N- 분자식
- C37H42O13
- 평균 분자량
- 694.7 g/mol
- 단동위원소 질량
- 694.26254139
개요
Sch-47555 is an angucycline.
이름 및 식별자
- 우선 이름
- Sch 47555
- IUPAC
- (3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
이름 및 동의어
Sch 47555Sch-47555150050-21-8(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-(5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)-3-methyl-3-((6-methyl-5-oxo-2H-pyran-2-yl)oxy)-2,4-dihydrobenzo(a)anthracene-1,7,12-trioneRefChem:181749DTXSID20933866CHEBI:199175(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione(3R,4aR,12bS)-4a,8,12b-Trihydroxy-9-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}-3-methyl-3-[(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)oxy]-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione4a,8,12b-Trihydroxy-9-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}-3-methyl-3-[(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)oxy]-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trioneBenz(a)anthracene-1,7,12(2H)-trione, 3-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-9-(tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-, (2S-(2alpha(2S*(3S*(2R*,6R*),4aS*,12bR*),5R*,6S*),5alpha,6beta))-
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 195 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,530
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…