(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide | 925441-31-2

分子结构分类

有机化合物 - 有机杂环化合物 - 香豆素

中文名称

——

中文别名

——

英文名称

(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide

英文别名

(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide

(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide化学式

CAS

925441-31-2

化学式

C₁₇H₁₅NO₇

mdl

——

分子量

345.309

InChiKey

MWCPUXRKEXHROH-QGZVFWFLSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

526.8±50.0 °C(Predicted)
密度：

1.57±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

0.7
重原子数：

25
可旋转键数：

3
环数：

3.0
sp3杂化的碳原子比例：

0.24
拓扑面积：

136
氢给体数：

3
氢受体数：

7

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
(9aS)-8-乙酰基-1,3,7-三羟基-9a-甲基-9-氧代二苯并呋喃-4-甲酰胺	Cercosporamide	131436-22-1	C₁₆H₁₃NO₇	331.282

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(9aS)-8-acetyl-7-hydroxy-1,3-dimethoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925441-75-4	C₁₈H₁₇NO₇	359.335
——	(9aS)-8-acetyl-N-benzyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-30-1	C₂₄H₂₁NO₇	435.433
——	(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-N-(4-methoxybenzyl)-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-34-5	C₂₅H₂₃NO₈	465.46
——	(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-N-(2-methoxybenzyl)-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-32-3	C₂₅H₂₃NO₈	465.46
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-2-ylmethyl)-9-oxodibenzofuran-4-carboxamide	1227077-86-2	C₂₈H₂₃NO₇	485.493
——	(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-N-(3-methoxybenzyl)-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-33-4	C₂₅H₂₃NO₈	465.46
——	(9aS)-8-Acetyl-N-(4-chlorobenzyl)-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-53-8	C₂₄H₂₀ClNO₇	469.878
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-39-0	C₂₈H₂₃NO₇	485.493
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-[(3-methyl-1-naphthyl)methyl]-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-82-3	C₂₉H₂₅NO₇	499.52
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-N-(pyridin-3-ylmethyl)-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-38-9	C₂₃H₂₀N₂O₇	436.421
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-[(3-hydroxy-1-naphthyl)methyl]-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-90-3	C₂₈H₂₃NO₈	501.493
——	(9aS)-8-acetyl-N-(2-chlorobenzyl)-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-45-8	C₂₄H₂₀ClNO₇	469.878
——	3-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl}propanoic acid	925440-03-5	C₃₁H₂₇NO₉	557.557
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-N,9a-dimethyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-80-1	C₂₉H₂₅NO₇	499.52
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-[(2-methylnaphthalen-1-yl)methyl]-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-56-1	C₂₉H₂₅NO₇	499.52
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-[(3-methoxy-1-naphthyl)methyl]-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-89-0	C₂₉H₂₅NO₈	515.519
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-{[3-(methoxymethyl)-1-naphthyl]methyl}-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925440-07-9	C₃₀H₂₇NO₈	529.546
——	(9aS)-8-acetyl-N-[4-(2-butynyloxy)-2,3,6-trimethylbenzyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925440-31-9	C₃₁H₃₁NO₈	545.589
——	methyl 3-(4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl)propanoate	925440-02-4	C₃₂H₂₉NO₉	571.584
——	4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthoic acid	925439-97-0	C₂₉H₂₃NO₉	529.503
——	4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl acetate	925441-49-2	C₃₀H₂₅NO₉	543.53
——	Cerco-A	925439-85-6	C₃₀H₂₇NO₇	513.547
——	(9aS)-8-acetyl-N-[(6-fluoro-2-methylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925441-06-1	C₂₉H₂₄FNO₇	517.51
——	methyl 4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthoate	925439-96-9	C₃₀H₂₅NO₉	543.53
——	(9aS)-8-acetyl-N-[(6-chloro-2-methylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925441-07-2	C₂₉H₂₄ClNO₇	533.965
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-[(2-propylnaphthalen-1-yl)methyl]-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-86-7	C₃₁H₂₉NO₇	527.574
——	(9aS)-8-acetyl-N-[(2-butylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925439-87-8	C₃₂H₃₁NO₇	541.601
——	(9aS)-8-acetyl-N-[(7-chloro-2-methylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide	925441-16-3	C₂₉H₂₄ClNO₇	533.965
——	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxylic acid	925441-37-8	C₁₇H₁₄O₈	346.293
——	Methyl 4-({[({9aS}-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl)carbonyl]amino}methyl)-2,3,5-trimethylbenzoate	925440-38-6	C₂₉H₂₉NO₉	535.551