기본 정보
- CAS
849699-55-4- 표준 SMILES
COC(=O)c1c(O)c2ccccc2c2oc([C@@]3(C)C[C@@H]4c5c(c(O)c6ccccc6c5O3)C(=O)O[C@H]4C(C)(C)O)cc12- InChIKey
ZDZRMYBQJYWXBR-CXUYDDCUSA-N- 분자식
- C33H28O9
- 평균 분자량
- 568.6 g/mol
- 단동위원소 질량
- 568.17333247
개요
rubicordifolin has been reported in Rubia cordifolia with data available.
이름 및 식별자
- 우선 이름
- Naphtho(1,2-b)furan-4-carboxylic acid, 5-hydroxy-2-((2R,3aR,4R)-2,3,3a,6-tetrahydro-7-hydroxy-4-(1-hydroxy-1-methylethyl)-2-methyl-6-oxo-4H-benzo(h)pyrano(3,4,5-de)-1-benzopyran-2-yl)-, methyl ester, rel-
- IUPAC
- methyl 5-hydroxy-2-[(12R,13R,15R)-8-hydroxy-12-(2-hydroxypropan-2-yl)-15-methyl-10-oxo-11,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8-pentaen-15-yl]benzo[g][1]benzofuran-4-carboxylate
- 현지명
- 루비코디폴린
- 영어명
- Rubicordifolin
- 분자식
- C33H28O9
- 분자량
- 568.57
이름 및 동의어
Rubicordifolin849699-55-4ZCR8BY5KW4DTXSID601030377Naphtho(1,2-b)furan-4-carboxylic acid, 5-hydroxy-2-((2R,3aR,4R)-2,3,3a,6-tetrahydro-7-hydroxy-4-(1-hydroxy-1-methylethyl)-2-methyl-6-oxo-4H-benzo(H)pyrano(3,4,5-de)-1-benzopyran-2-yl)-, methyl ester, rel-RefChem:927485DTXCID901515467methyl 5-hydroxy-2-[(12R,13R,15R)-8-hydroxy-12-(2-hydroxypropan-2-yl)-15-methyl-10-oxo-11,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8-pentaen-15-yl]benzo[g][1]benzofuran-4-carboxylateMethyl 5-hydroxy-2-((12R,13R,15R)-8-hydroxy-12-(2-hydroxypropan-2-yl)-15-methyl-10-oxo-11,16-dioxatetracyclo(7.7.1.02,7.013,17)heptadeca-1(17),2,4,6,8-pentaen-15-yl)benzo(g)(1)benzofuran-4-carboxylateUNII-ZCR8BY5KW4orb1681769HY-N8317
이름 더 보기
루비코디폴린Naphtho[1,2-b]furan-4-carboxylic acid, 5-hydroxy-2-[(2R,3aR,4R)-2,3,3a,6-tetrahydro-7-hydroxy-4-(1-hydroxy-1-methylethyl)-2-methyl-6-oxo-4H-benzo[h]pyrano[3,4,5-de]-1-benzopyran-2-yl]-, methyl ester, rel- (9CI)
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,080
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