(1R,4S,5S,8S,11R,14R,15R,18S,19S,22S,25R,28R,29R,32S,33S,36S,39R,42R)-9,10,23,24,37,38-hexamethylidene-43,44,45,46,47,48-hexaoxahexadecacyclo[30.10.1.14,15.18,11.118,29.122,25.136,39.02,31.03,16.05,14.07,12.017,30.019,28.021,26.033,42.035,40]octatetraconta-2,7(12),16,21(26),30,35(40)-hexaene | 122238-26-0

分子结构分类

有机化合物 - 有机杂环化合物 - 萘并呋喃类

中文名称

——

中文别名

——

英文名称

(1R,4S,5S,8S,11R,14R,15R,18S,19S,22S,25R,28R,29R,32S,33S,36S,39R,42R)-9,10,23,24,37,38-hexamethylidene-43,44,45,46,47,48-hexaoxahexadecacyclo[30.10.1.14,15.18,11.118,29.122,25.136,39.02,31.03,16.05,14.07,12.017,30.019,28.021,26.033,42.035,40]octatetraconta-2,7(12),16,21(26),30,35(40)-hexaene

英文别名

——

(1R,4S,5S,8S,11R,14R,15R,18S,19S,22S,25R,28R,29R,32S,33S,36S,39R,42R)-9,10,23,24,37,38-hexamethylidene-43,44,45,46,47,48-hexaoxahexadecacyclo[30.10.1.14,15.18,11.118,29.122,25.136,39.02,31.03,16.05,14.07,12.017,30.019,28.021,26.033,42.035,40]octatetraconta-2,7(12),16,21(26),30,35(40)-hexaene化学式

CAS

122238-26-0

化学式

C₄₈H₄₂O₆

mdl

——

分子量

714.858

InChiKey

OECSEROMBSUSSB-IEGFYDFZSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1
重原子数：

54
可旋转键数：

0
环数：

16.0
sp3杂化的碳原子比例：

0.5
拓扑面积：

55.4
氢给体数：

0
氢受体数：

6

反应信息

作为反应物：

描述：

rel-(1R,4S,5R,8S,9R,12S)-1,4:5,8:9,12-triepoxy-1,4,5,8,9,12-hexahydrotriphenylene 、 (1R,4S,5S,8S,11R,14R,15R,18S,19S,22S,25R,28R,29R,32S,33S,36S,39R,42R)-9,10,23,24,37,38-hexamethylidene-43,44,45,46,47,48-hexaoxahexadecacyclo[30.10.1.14,15.18,11.118,29.122,25.136,39.02,31.03,16.05,14.07,12.017,30.019,28.021,26.033,42.035,40]octatetraconta-2,7(12),16,21(26),30,35(40)-hexaene 以二氯甲烷为溶剂， 50.0 ℃ 、999.99 MPa 条件下，反应 144.0h，以2 mg的产率得到Trinacren

参考文献：

名称：

Asthon, Peter R.; Isaacs, Neil S.; Kohnke, Franz H., Angewandte Chemie, 1989, vol. 101, # 9, p. 1269 - 1271

摘要：

DOI：
作为产物：

描述：

2,3,5,6-tetramethylidene-7-oxabicyclo[2.2.1]heptane 、 rel-(1R,4S,5R,8S,9R,12S)-1,4:5,8:9,12-triepoxy-1,4,5,8,9,12-hexahydrotriphenylene 以甲苯为溶剂，反应 16.0h，以48%的产率得到(1R,4S,5S,8S,11R,14R,15R,18S,19S,22S,25R,28R,29R,32S,33S,36S,39R,42R)-9,10,23,24,37,38-hexamethylidene-43,44,45,46,47,48-hexaoxahexadecacyclo[30.10.1.14,15.18,11.118,29.122,25.136,39.02,31.03,16.05,14.07,12.017,30.019,28.021,26.033,42.035,40]octatetraconta-2,7(12),16,21(26),30,35(40)-hexaene

参考文献：

名称：

Asthon, Peter R.; Isaacs, Neil S.; Kohnke, Franz H., Angewandte Chemie, 1989, vol. 101, # 9, p. 1269 - 1271

摘要：

DOI：

点击查看最新优质反应信息

同类化合物

黄药子素C 黄独素A 香紫苏内酯降龙涎香醚阿霉素（α-β混合物）银线草内酯醇辛辣木素载脂蛋白-土霉素萘并[2,3-c]呋喃-3(1H)-酮萘并[2,3-c]呋喃-1,3-二酮,5,8-二甲基-(9CI) 萘并[2,3-c]呋喃-1(3H)-酮,4-(3-呋喃基)-7-羟基- 萘并[2,3-b]呋喃-4,9-二酮,2,3-二氢-2-甲基-2-苯基- 萘并[2,1-b]呋喃-2-甲酰肼萘并[2,1-b]呋喃-2(1H)-酮萘并[2,1-b]呋喃-1-乙酸萘并[1,2-b]呋喃-2-醇,2,3,3a,4,5,5a,6,7,9a,9b-十氢-3,5a,9-三甲基- 萘并[1,2-b]呋喃-2(3H)-酮,3a,4,5,9b-四氢-8-羟基-3,9-二甲基-,(3R,3aR,9bS)-rel- 萘并(2,3-b)呋喃-4,9-二酮萘[2,1-b]呋喃-2-羧酸乙酯萘[2,1-B]苯并呋喃-10-基硼酸荧蒽-2,3-二甲酸酐苯并[g][1]苯并呋喃-8,9-二酮苯并[g][1]苯并呋喃-3-酮苯并[g][1]苯并呋喃-2-甲醛苯并[g][1]苯并呋喃苯并[f][1]苯并呋喃-3-酮苯并[e][1]苯并呋喃-8-醇苯并[e][1]苯并呋喃-1-酮苯并[e][1]苯并呋喃苯并[b]萘并[2,3-d]呋喃苯并[b]萘并[2,1-d]呋喃苯并[b]萘并[1,2-d]呋喃苯并[B]萘并[2,3-D]呋喃-2-羟基硼酸苯基利福平苯基(6,7,8,9-四氢萘并[2,1-b]呋喃-2-基)甲醇苊并[5,4-b]呋喃-4,5-二酮,7,8-二氢-3,6-二羟基-1,7,7,8-四甲基-,(8S)- 维生素K1相关化合物红葱酚盐(1:2)苯磺酸,2,2'-(1,2-乙烯二基)二[5-[[4,6-二(2-萘氧基)-2-嘧啶基]氨基]-,钠白术内酯 I 珀勒内B 珀勒内A 沃拉帕沙杂质沃拉帕沙沃拉帕沙沃拉帕沙己二酸,聚合2,2-二(羟甲基)-1,3-丙二醇,1,3-异苯并呋喃二酮和2,2-氧代二乙醇,2-丙烯酸酯岩大戟内酯B 岩大戟内酯A 密叶辛木素

分子结构分类

计算性质

反应信息

同类化合物

相关结构分类

热门分子