4'-(Benzenesulfonyl)-6,6',7,17',18',18',30',31'-octaethyl-6,7,12',12',17,17,30',31',36',36',39',39'-dodecamethyl-20'-(trifluoromethyl)spiro[2,11-dioxapentacyclo[10.7.0.03,10.05,8.014,18]nonadeca-1(12),3(10),4,8,13,18-hexaene-15,10'-2,16,22,29,32-pentaoxadecacyclo[21.18.0.03,21.05,19.06,17.07,15.09,13.025,40.026,35.028,33]hentetraconta-1(23),3,5(19),7(15),8,13,20,24,26,28(33),34,40-dodecaene]-4,9-dicarbonitrile

分子结构分类

有机化合物 - 木脂素、新木脂素和相关化合物 - 二苯并环辛二烯木脂素

中文名称

——

中文别名

——

英文名称

4'-(Benzenesulfonyl)-6,6',7,17',18',18',30',31'-octaethyl-6,7,12',12',17,17,30',31',36',36',39',39'-dodecamethyl-20'-(trifluoromethyl)spiro[2,11-dioxapentacyclo[10.7.0.03,10.05,8.014,18]nonadeca-1(12),3(10),4,8,13,18-hexaene-15,10'-2,16,22,29,32-pentaoxadecacyclo[21.18.0.03,21.05,19.06,17.07,15.09,13.025,40.026,35.028,33]hentetraconta-1(23),3,5(19),7(15),8,13,20,24,26,28(33),34,40-dodecaene]-4,9-dicarbonitrile

英文别名

4'-(benzenesulfonyl)-6,6',7,17',18',18',30',31'-octaethyl-6,7,12',12',17,17,30',31',36',36',39',39'-dodecamethyl-20'-(trifluoromethyl)spiro[2,11-dioxapentacyclo[10.7.0.03,10.05,8.014,18]nonadeca-1(12),3(10),4,8,13,18-hexaene-15,10'-2,16,22,29,32-pentaoxadecacyclo[21.18.0.03,21.05,19.06,17.07,15.09,13.025,40.026,35.028,33]hentetraconta-1(23),3,5(19),7(15),8,13,20,24,26,28(33),34,40-dodecaene]-4,9-dicarbonitrile

CAS

——

化学式

C₈₉H₉₇F₃N₂O₉S

mdl

——

分子量

1427.8

InChiKey

GUMQXSQINSOGEH-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

23
重原子数：

104
可旋转键数：

10
环数：

16.0
sp3杂化的碳原子比例：

0.51
拓扑面积：

155
氢给体数：

0
氢受体数：

14

同类化合物

[(12R,13R)-13-(hydroxymethyl)-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-12-yl]methanol (12R,16R)-5,7,14,21,23-pentaoxahexacyclo[16.7.0.02,10.04,8.012,16.020,24]pentacosa-1(25),2,4(8),9,18,20(24)-hexaene (11R,12S,13S)-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol (+/-)-isostegane diol (+/-)-isostegane diacetate 2,3,10,11-tetramethoxy-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene 1,2,3-Trimethoxy-8-oxo-7,8-dihydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-6,6(5H)-dicarboxylic acid methyl (9R)-3,4,5-trimethoxy-11-oxo-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-9-carboxylate (2S)-(8β,8'α)-9,9-epoxy-4,5-dimethoxy-2,2'-cyclolignan-4',5'-diol (2R)-(8β,8'α)-9,9'-epoxy-4,5,4',5'-tetramethoxy-2,2'-cyclolignane (2S)-(8β,8'α)-4,5,4',5'-tetramethoxy-2,2'-cyclolignane (aR,5S,6S,7R)-5,10-diacetoxy-1,2,3,9,11-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzocyclooctene iso-methylenedioxy-2,3 oxo-5 trimethoxy-10,11,12 bis-benzocyclooctadienecarboxylate-7α de methyle 2-[(9R,10R)-10-(hydroxymethyl)-4,5,14,15-tetramethoxy-9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl]propan-2-ol steganoate B (6R,7S)-2,3,10,11-tetrahydroxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene 5,6,7,8-tetrahydro-1,2,3-trimethoxy-10,11-methylenedioxy-8-oxodibenzocyclooctene-6-carboxylic acid dimethyl 5,6,7,8-tetrahydro-1,2,3-trimethoxy-10,11-methylenedioxy-8-oxodibenzocyclooctene-6,6-dicarboxylate (12R,13R)-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene 4'-(Benzenesulfonyl)-6,6',7,17',18',18',30',31'-octaethyl-6,7,12',12',17,17,30',31',36',36',39',39'-dodecamethyl-20'-(trifluoromethyl)spiro[2,11-dioxapentacyclo[10.7.0.03,10.05,8.014,18]nonadeca-1(12),3(10),4,8,13,18-hexaene-15,10'-2,16,22,29,32-pentaoxadecacyclo[21.18.0.03,21.05,19.06,17.07,15.09,13.025,40.026,35.028,33]hentetraconta-1(23),3,5(19),7(15),8,13,20,24,26,28(33),34,40-dodecaene]-4,9-dicarbonitrile 4,20,45'-Tricyano-11',12',17,17,18,18,28',28',29',29',30,31-dodecaethyl-11',12,12,12',20',20',23',23',30,31,36,36,39,39,39',39'-hexadecamethylspiro[2,6,16,22,29,32-hexaoxanonacyclo[21.18.0.03,21.05,19.07,15.09,13.025,40.026,35.028,33]hentetraconta-1(23),3(21),4,7(15),8,13,19,24,26,28(33),34,40-dodecaene-10,37'-7,16,27,33,43,47-hexaoxaundecacyclo[24.21.0.03,24.04,19.06,17.08,15.010,13.030,46.032,44.034,42.036,40]heptatetraconta-1(26),2,4,6(17),8(15),9,13,18,24,30,32(44),34(42),35,40,45-pentadecaene]-9',14',31'-tricarboxylic acid Stegane secolactone diol diacetate Stegane secolactone diol (8α,8'β)-4,5,4',5'-tetramethoxy-2,2'-cyclolignane-9,9'-diol (9S,10R)-4,5,14,15-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene Methyl 3,4,10-trimethoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2(7),3,5,12,14(18)-hexaene-9-carboxylate 4,5,19-Trimethoxy-9,10-dimethyltetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2,4,6,13,18-hexaen-3-ol 9,13,15-Trimethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaen-14-ol 9,10-Dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol Methyl 3,4,6,10-tetramethoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2(7),3,5,12,14(18)-hexaene-9-carboxylate 3,5,9,10,11-Pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.02,7.08,13]heptadeca-2,4,6,8,10,12-hexaen-4-ol 11-Hydroxy-4,5,13,14,15-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-8-one 9,13-Dimethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaen-14-ol 3,4,5,15,16-Pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene

分子结构分类

计算性质

同类化合物

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