기본 정보
- CAS
15298-42-7- 표준 SMILES
COC(=O)CC1Cc2c(O)c3c(c(O)c2C(C)O1)C(=O)c1cn(C)nc1C3=O- InChIKey
CNFRFHRDMCWFDB-UHFFFAOYSA-N- 분자식
- C19H18N2O7
- 평균 분자량
- 386.4 g/mol
- 단동위원소 질량
- 386.11140092
이름 및 식별자
- 우선 이름
- [2]Benzopyrano[7,6-f]indazole-8-acetic acid, 2,4,6,8,9,11-hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-, methyl ester
- IUPAC
- methyl 2-(5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-8,9-dihydro-6H-isochromeno[7,6-f]indazol-8-yl)acetate
- 영어명
- 2,4,6,8,9,11-Hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo[2]benzopyrano[7,6-f]indazole-8-acetic acid methyl ester
- 분자식
- C19H18N2O7
- 분자량
- 386.36
이름 및 동의어
15298-42-7methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate[2]Benzopyrano[7,6-f]indazole-8-acetic acid, 2,4,6,8,9,11-hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-, methyl esterCNFRFHRDMCWFDB-UHFFFAOYSA-N2,4,6,8,9,11-Hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo[2]benzopyrano[7,6-f]indazole-8-aceticMethyl (5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-2,4,6,8,9,11-hexahydroisochromeno[7,6-f]indazol-8-yl)acetate #methyl 2-(5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-8,9-dihydro-6H-isochromeno[7,6-f]indazol-8-yl)acetate2,4,6,8,9,11-Hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo[2]benzopyrano[7,6-f]indazole-8-acetic acid methyl esterPyrano[4',3':4,5]benz[1,2-f]indazole-8-acetic acid, 2,4,6,8,9,11-hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-, methyl ester
데이터베이스 식별자
- CAS
15298-42-7- PubChem CID
- 536807
- Nikkaji
- J143.584A
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 685
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