3-bromo-3,3-difluoroprop-1-ene;(1S,3S,6S,12S,14R,18S,21R,22S,29S,31R,32S,33S,35R,36S)-20-(3,3-difluoro-2-hydroxypent-4-enyl)-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one;(1S,3S,6S,12S,14R,18S,21R,22S,29S,31R,32S,33S,35R,36S)-20-[(2S)-2,3-dihydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one

分子结构分类

有机化合物 - 有机杂环化合物 - 呋喃吡喃类

中文名称

——

中文别名

——

英文名称

3-bromo-3,3-difluoroprop-1-ene;(1S,3S,6S,12S,14R,18S,21R,22S,29S,31R,32S,33S,35R,36S)-20-(3,3-difluoro-2-hydroxypent-4-enyl)-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one;(1S,3S,6S,12S,14R,18S,21R,22S,29S,31R,32S,33S,35R,36S)-20-[(2S)-2,3-dihydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one

英文别名

——

CAS

——

化学式

C85H119BrF4O23

mdl

——

分子量

1664.7

InChiKey

UNTPDXBILFHEII-QNWPUJDXSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

10.93
重原子数：

113
可旋转键数：

10
环数：

19.0
sp3杂化的碳原子比例：

0.84
拓扑面积：

261
氢给体数：

3
氢受体数：

27

同类化合物

马桑宁内酯薁并[6,5-b]呋喃-2,4-二酮,十氢-5-(3-羟基丙氧基)-3a,4a-二甲基- 苦毒浆果[木防已属] 苦亭艾瑞布林中间体艾瑞布林甲磺酸艾日布林木防己苦毒宁呋喃并[4,3,2-ij][2]苯并吡喃-2,7-二酮,2a,3,4,6,8a,8b-六氢-6-甲基-5-[(1S)-1,3,3-三甲基环己基]-,(2aR,6R,8aS,8bR)- 全内酯二氢苦毒宁 6-甲基-4-氧代-4H-呋喃并[3,2-c]吡喃-3-甲酰氯 6-(4-羟基苯基)-2,3,3-三甲基-2H-呋喃并[5,4-b]吡喃-4-酮 4H-呋喃并[2,3-c]吡喃基莫匹罗星钠 3-甲基2H-呋喃并[2,3-c]吡喃-2-酮 3,5-二甲基2H-呋喃并[2,3-c]吡喃-2-酮 2H-呋喃并[2,3-c]吡喃-2-酮 2-[(1E,3E)-己-1,3-二烯基]-2,6-二甲基-5,6-二氢呋喃并[5,4-b]吡喃-3,4-二酮 (3aS,5S,6R,9E,14R,15R,15aR)-2,3,3a,4,5,6,7,8,11,12,13,14,15,15alpha-十四氢-6,10,14-三甲基-3-亚甲基-2-氧代-5,15-环氧环十四烷并[b]呋喃-6-醇乙酸酯 (3aR,4S,7aR)-4-羟基-3,3a,4,7a-四氢呋喃并[5,4-b]吡喃-2-酮 (3aα,3bβ,6aβ,7aα)-(+/-)-hexahydro-6-hydroxy-3a-(phenylmethyl)difuro<2,3-b:3',4'-d>furan-2(3H)-one (2R,3aS,4S,6S,7aR)-3a-benzyloxy-6-ethynyl-2-methoxy-4-p-methoxybenzyloxyhexahydrofuro[2,3-b]pyran (1R,2S,6S,7S)-5,6-Dimethoxy-8-oxo-3,9-dioxa-tricyclo[5.2.2.02,6]undeca-4,10-diene-10-carboxylic acid methyl ester N3,5'-Cyclo-2',3'-O-isopropyliden-8-oxyguanosin (3aR,4aR,7aS,8aS)-2-Thioxo-hexahydro-furo[3',4':4,5]benzo[1,2-d][1,3]dioxol-5-one 9-(3',5'-O-Isopropyliden-2-keto-β-D-xylofuranosyl)-adenin (1aR,1bS,4aS,5aS)-1a-Isopropyl-hexahydro-1,4-dioxa-cyclopropa[a]pentalen-3-one [(3aR,4S,6R,7S,7aR)-7-acetyloxy-2-oxo-4-phenylsulfanyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazol-6-yl]methyl acetate (2R,3R,3aS,6R,7R,7aR)-7-azido-6-methoxy-2-phenylsulfanyl-hexahydrofuro[3,2-b]pyran-3-ol 7-Dihydroxymethyl-O¹,O²-isopropyliden-3,7-anhydro-6-desoxy-D-glucofuranose (1S,2S,6S,7R)-5,6-Dimethoxy-8-oxo-3,9-dioxa-tricyclo[5.2.2.02,6]undeca-4,10-diene-10-carboxylic acid methyl ester (2R,3S)-2-Methyl-4-oxo-oxetane-3-carboxylic acid (1R,5S)-6-methylene-3-oxo-bicyclo[3.2.1]oct-1-ylmethyl ester 3-C-(3,4,6-tri-O-acetyl-2-deoxy-2-tetrachlorophthalimido-β-D-glucopyranosyl)-1-propene (2R,4aR,5aS,8aS,9S,9aR)-5a-methoxy-7-oxo-2-phenyloctahydrofuro[2',3':5,6]pyrano[3,2-d][1,3]dioxin-9-yl acetate (4R,5E,7R,9S,10S,11E,14S)-9-((benzyloxy)methoxy)-4,10-bis((tert-butyldimethylsilyl)oxy)-7-(dimethoxymethyl)-14-(furan-3-yl)-6,12-dimethyloxacyclotetradeca-5,11-dien-2-one 3-Furan-3-yl-8-methyl-5-(4,5,6,7-tetrahydro-isobenzofuran-4-yl)-2,7-dioxa-bicyclo[3.2.1]octane methyl 2,3"-anhydro-4,6-O-benzylidene-3-C-[2,2-dihydroxyethyl]-α-D-glucopyranoside (3aR,5S,6S,7aR)-5-((R)-but-3-en-2-yl)-6-hydroxyhexahydro-2H-furo[3,2-b]pyran-2-one 7-(3-Furan-3-yl-8-methyl-2,7-dioxa-bicyclo[3.2.1]oct-5-yl)-1,3,4,5,6,7-hexahydro-isobenzofuran-1-ol

分子结构分类

计算性质

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