9-(5,14-dimethyl-6-oxo-8-propyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)-4a,8,12b-trihydroxy-3-methyl-3-[6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

分子结构分类

有机化合物 - 苯丙烷和聚酮 - 角环素

中文名称

——

中文别名

——

英文名称

9-(5,14-dimethyl-6-oxo-8-propyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)-4a,8,12b-trihydroxy-3-methyl-3-[6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

英文别名

——

9-(5,14-dimethyl-6-oxo-8-propyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)-4a,8,12b-trihydroxy-3-methyl-3-[6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione化学式

CAS

——

化学式

C₅₂H₆₄O₁₈

mdl

——

分子量

977.1

InChiKey

XXMYSYAQUFKWQF-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

3.4
重原子数：

70
可旋转键数：

9
环数：

10.0
sp3杂化的碳原子比例：

0.67
拓扑面积：

238
氢给体数：

3
氢受体数：

18

同类化合物

酒色霉素 A1 萘并[1,2-b]菲-7,14-二酮苯并蒽-7,12-二酮腊伯罗霉素浅内红霉素水绫霉素棣棠霉素 C 抑胃酶氨酰-21 富士霉素A 四角霉素丙酸,2-甲基-,(3R,4S)-1,2,3,4,7,12-六氢-8-甲氧基-3-甲基-1,7,12-三羰基苯并[a]蒽-4-基酯丁二酸,碘-,4-乙基1-甲基酯(9CI) N-{4-[(4-吡啶-2-基哌嗪-1-基)羰基]苯基}-7-(三氟甲基)喹啉-4-胺 8-羟基-3-甲基-3,4-二氢-1,7,12(2H)-苯并[a]蒽三酮 8-甲氧基-3-甲基-3,4-二氢-1,7,12(2H)-四苯e三酮 8,11-二[2-(2-羟基乙基氨基)乙基氨基]-6-甲氧基-1,2,3,4-四氢苯并[a]蒽-7,12-二酮 4a,8,12b-三羟基-4-甲基-1H-苯并[a]蒽-2,7,12-三酮 3-甲氧基苯并(a)蒽-7,12-二酮 1,3-二羟基-8-甲氧基-3-甲基-2,4-二氢-1H-苯并[a]蒽-7,12-二酮 (R)-8-羟基-3-甲基-1,2,3,4-四氢苯并[a]蒽-7,12-二酮 (3S)-6-羟基-8-甲氧基-3-甲基-3,4-二氢-2H-苯并[a]蒽-1,7,12-三酮 (3S)-3-甲基-8-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基四氢吡喃-2-基]氧基-3,4-二氢-2H-苯并[a]蒽-1,7,12-三酮 (3S)-11-羟基-8-甲氧基-3-甲基-3,4-二氢-2H-苯并[a]蒽-1,7,12-三酮 (3R)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-二羟基-6-甲基四氢吡喃-2-基]氧基-6-甲基四氢吡喃-2-基]氧基-5-羟基-6-甲基四氢吡喃-2-基]-3,8-二羟基-3-甲基-2,4-二氢苯并[b]菲-1,7,12-三酮 (2S,4S,5S)-4-[(1E,3E,5E)-7-[(2R,6R)-6-[(2R,3S,4aR,12bS)-2,3,4A,8,12B-五羟基-3-甲基-1,7,12-三氧代-2,4-二氢苯并[h]菲-9-基]-2-甲基四氢吡喃-3-基]氧基-7-氧代庚-1,3,5-三烯基]-2,5-二甲基-1,3-二氧戊环-2-羧酸 (2R,3S,4aR,12bS)-2,3,4a,8,12b-五羟基-3-甲基-3,4,4a,12b-四氢-1,7,12(2H)-四苯e三酮 (1S,3S)-10-[[(1S,3S)-1,11-二羟基-8-甲氧基-3-甲基-7,12-二氧代-1,2,3,4-四氢苯并[h]菲-10-基]甲基]-1,11-二羟基-8-甲氧基-3-甲基-1,2,3,4-四氢苯并[B]菲-7,12-二酮 (1S,3S)-1-羟基-8-甲氧基-3-甲基-1,2,3,4-四氢苯并[a]蒽-7,12-二酮 (-)-8-O-甲基四角霉素 (1S,3S)-1-hydroxy-8-methoxy-3-methyl-11-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyloxy)-1,2,3,4-tetrahydrobenz[a]anthracene-7,12-dione 1,2,3,4,5,6-Tribenzofluorenon 5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,10-dihydroxy-1-methoxy-8-methylene- 2,6-dimethyl-benz[a]anthracene-7,12-dione 1-methyl-pleiadene-7,12-dione 9-chloro-benz[a]anthracene-7,12-dione 6,11-dioxo-6,11-dihydro-anthra[1,2-b]selenophene-2-carboxylic acid 9-(1,1-Dimethoxy-ethyl)-6,7,11-trihydroxy-naphthacene-5,12-dione [(1S,21S,22R)-11-methyl-6,17-dioxo-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaen-22-yl] acetate [(1S,21S,22S)-11-methyl-6,17-dioxo-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaen-22-yl] acetate 5-methoxybenz anthracene-7,12-dione 4-methoxydibenzanthracene-7,14-dione N-acetyl-6-phenylamino-5,12-naphthacenequinone 6-methyl-1,2,3,4-tetrahydro-benz[a]anthracene-7,12-dione 9-Fluoro-benzo[a]anthracene-7,12-dione [(1R,21R,22S)-11-methyl-6,17-dioxo-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaen-22-yl] acetate (1S,21S,22R)-22-hydroxy-11-methyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaene-6,17-dione (1R,21R,22S)-22-hydroxy-11-methyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaene-6,17-dione (1S,21S,22S)-22-hydroxy-11-methyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaene-6,17-dione methyl 11-hydroxy-6-methoxy-12-oxo-5,7,8,9,10,12-hexahydrotetracene-5-carboxylate (1R,21R,22R)-22-hydroxy-11-methyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaene-6,17-dione

9-(5,14-dimethyl-6-oxo-8-propyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)-4a,8,12b-trihydroxy-3-methyl-3-[6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

分子结构分类

计算性质

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