methyl 9(R,S)-ethyl-4,6,9(R,S)-trihydroxy-5,12-dioxo-7,8,9,10-tetrahydronaphthacene-10(R,S)-carboxylate | 78821-96-2

分子结构分类

有机化合物 - 苯类化合物 - 并四苯

中文名称

——

中文别名

——

英文名称

methyl 9(R,S)-ethyl-4,6,9(R,S)-trihydroxy-5,12-dioxo-7,8,9,10-tetrahydronaphthacene-10(R,S)-carboxylate

英文别名

(+/-)-4-Desoxyaklavinon；(+/-)-7-deoxyaklavinone；(+/-)-galirubinone D；7-Deoxyaklavinone；galirubinone D

methyl 9(R,S)-ethyl-4,6,9(R,S)-trihydroxy-5,12-dioxo-7,8,9,10-tetrahydronaphthacene-10(R,S)-carboxylate化学式

CAS

78821-96-2

化学式

C₂₂H₂₀O₇

mdl

——

分子量

396.397

InChiKey

INYMGFOOIHFPOO-VGSWGCGISA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

219-222 °C
沸点：

609.7±55.0 °C(Predicted)
密度：

1.450±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.22
重原子数：

29.0
可旋转键数：

2.0
环数：

4.0
sp3杂化的碳原子比例：

0.32
拓扑面积：

121.13
氢给体数：

3.0
氢受体数：

7.0

SDS

SDS：6852bd871f323115d00ac5a05348bea8

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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
——	c-2-Ethyl-1,2,3,4,6,11-hexahydro-t-2,5-dihydroxy-7-methoxy-6,11-dioxo-r-1-naphthacencarbonsaeure-methylester	80173-04-2	C₂₃H₂₂O₇	410.423
——	1-Naphthacenecarboxylic acid,2-ethyl-1,2,3,4,6,11-hexahydro-2-hydroxy-5,7-dimethoxy-6,11-dioxo-,methyl ester, trans-	88453-70-7	C₂₄H₂₄O₇	424.45
——	10-(R,S)-carbomethoxy-6-ethoxy-9(R,S)-ethyl-9(R,S)-hydroxy-4-methoxy-7,8,9,10-tetrahydro-5,12-naphthacenedione	82247-61-8	C₂₅H₂₆O₇	438.477
——	10-(R,S)-carbomethoxy-6-ethoxy-9(S,R)-ethyl-9(S,R)-hydroxy-4-methoxy-7,8,9,10-tetrahydro-5,12-naphthacenedione	82247-63-0	C₂₅H₂₆O₇	438.477
——	1-carbomethoxy-5,7-dihydroxy-1,2-epoxy-2-ethyl-3,4-dihydronaphthacene-6,11-dione	78772-90-4	C₂₂H₁₈O₇	394.381
——	methyl (4R,6S)-6-ethyl-10,14-dihydroxy-12,19-dioxo-5-oxapentacyclo[9.8.0.03,9.04,6.013,18]nonadeca-1,3(9),10,13(18),14,16-hexaene-4-carboxylate	78772-90-4	C₂₂H₁₈O₇	394.381
——	5,7-dihydroxy-1,2-epoxy-2-ethyl-1-formyl-3,4-dihydronaphthacene-6,11-dione	78772-89-1	C₂₁H₁₆O₆	364.354
——	5,7-dihydroxy-1,2-epoxy-2-ethyl-1-hydroxymethyl-3,4-dihydronaphthacene-6,11-dione	78772-88-0	C₂₁H₁₈O₆	366.37
——	(4R,6S)-6-ethyl-10,14-dihydroxy-12,19-dioxo-5-oxapentacyclo[9.8.0.03,9.04,6.013,18]nonadeca-1,3(9),10,13(18),14,16-hexaene-4-carboxamide	78773-08-7	C₂₁H₁₇NO₆	379.369
——	rac-methyl (1aR,11bS)-1a-ethyl-4,6-dihydroxy-5,10-dioxo-2,3,5,10-tetrahydrotetraceno[1,2-b]oxirene-11b(1aH)-carbimidate	78773-09-8	C₂₂H₁₉NO₆	393.396
——	1,8-Dihydroxy-3-methoxycarbonylmethyl-2-(3-oxopentyl)-9,10-anthraquinone	74188-46-8	C₂₂H₂₀O₇	396.397
——	methyl <4,5-dimethoxy-3-(3-hydroxypent-1-yl)anthraquinon-2-yl>acetate	88453-68-3	C₂₄H₂₆O₇	426.466
——	methyl 2-<3-(3-(benzyloxy)pent-1-yl)-4-hydroxy-5-methoxyanthraquinon-2-yl>acetate	88453-65-0	C₃₀H₃₀O₇	502.564
——	9,10-Dihydro-4-hydroxy-5-methoxy-9,10-dioxo-3-(3-oxopentyl)-2-anthracenessigsaeure-methylester	88365-17-7	C₂₃H₂₂O₇	410.423
——	methyl <3-(3-(benzyloxy)pent-1-yl)-4,5-dimethoxyanthraquinon-2-yl>acetate	88453-67-2	C₃₁H₃₂O₇	516.591
——	methyl <4,5-dimethoxy-3-(3-oxopent-1-yl)anthraquinon-2-yl>acetate	88453-69-4	C₂₄H₂₄O₇	424.45
——	(1R,2S)-2-ethyl-5,7-dihydroxy-6,11-dioxo-1-trimethylsilyloxy-3,4-dihydro-2H-tetracene-1-carbonitrile	78773-05-4	C₂₄H₂₅NO₅Si	435.552
——	9,10-dihydro-1,11-dihydroxy-8-ethyl-5,7,12(8H)-naphthacenetrione	78773-04-3	C₂₀H₁₆O₅	336.344
——	Propionic acid 2-ethyl-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-5-yl ester	78772-99-3	C₂₄H₂₄O₅	392.452
——	8-Ethyl-11-hydroxy-1-methoxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione	78772-98-2	C₂₁H₂₀O₄	336.387
——	7,8-dihydro-4-methoxy-6-hydroxy-9-ethyl-5,10,12(9H)-naphthacenetrione	78773-02-1	C₂₁H₁₈O₅	350.371
——	5,7-dihydroxy-2-ethyl-1-hydroxymethyl-3,4-dihydronaphthacene-6,11-dione	78772-86-8	C₂₁H₁₈O₅	350.371
——	5,7-dimethoxy-2-ethyl-1-hydroxymethyl-3,4-dihydronaphthacene-6,11-dione	78772-85-7	C₂₃H₂₂O₅	378.425
——	(1S,2S)-2-Ethyl-2,5,7,11-tetrahydroxy-6-oxo-1,2,3,6-tetrahydro-naphthacene-1-carboxylic acid methyl ester	87903-35-3	C₂₂H₂₀O₇	396.397
——	9,10-Dihydro-4-hydroxy-5-methoxy-9,10-dioxo-3-(3-oxopentyl)-2-anthracencarbonsaeurechlorid	88365-15-5	C₂₁H₁₇ClO₆	400.815
——	3-(Acetoxymethyl)-1-(2,2-dimethylpropionyloxy)-8-methoxy-2-(3-oxopentyl)-9,10-anthrachinon	88365-11-1	C₂₈H₃₀O₈	494.541
——	9,10-Dihydro-4-hydroxy-5-methoxy-9,10-dioxo-3-(3-oxopentyl)-2-anthracencarbonsaeure	88365-13-3	C₂₁H₁₈O₇	382.37
——	3-(2-Diazo-acetyl)-1-hydroxy-8-methoxy-2-(3-oxo-pentyl)-anthraquinone	88365-16-6	C₂₂H₁₈N₂O₆	406.395
——	2-formyl-3-(3-oxopent-1-yl)-4,5-dimethoxy-9,10-anthracenedione	123077-95-2	C₂₂H₂₀O₆	380.397
——	1-Hydroxy-3-(hydroxymethyl)-8-methoxy-2-(3-oxopentyl)-9,10-anthrachinon	88365-12-2	C₂₁H₂₀O₆	368.386
——	1-cyano-5,7-dihydroxy-2-ethyl-3,4-dihydronaphthacene-6,11-dione	78773-07-6	C₂₁H₁₅NO₄	345.354
——	3-Brommethyl-1-(2,2-dimethylpropionyloxy)-8-methoxy-2-(3-oxopentyl)-9,10-anthrachinon	77825-05-9	C₂₆H₂₇BrO₆	515.401
——	4-methoxy-6-hydroxy-9-ethyl-7,8-dihydronaphthacene-5,12-dione	95374-92-8	C₂₁H₁₈O₄	334.372
——	4,6-dimethoxy-9-ethyl-7,8-dihydronaphthacene-5,12-dione	78757-88-7	C₂₂H₂₀O₄	348.398
——	2-<(1,3-dithia-2-cyclohexylidene)methyl>-3-(3-oxopent-1-yl)-4,5-dimethoxy-9,10-anthracenedione	123077-96-3	C₂₆H₂₆O₅S₂	482.621
——	methyl (6a-SR,9-RS,10-RS,10a-RS)-9-eth