penitrem A; Tremortin A; Penitrem A from Penicillium paxilli; PENITREM A, PENICILLIUM PAXILLI; penitrem A from penicillium palitans; Penitrem A Nsc354845; (2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8S,9aR,14bS,14cR,16aS)-12-chloro-14b,14c,17,17-tetramethyl-10-methylidene-2-(prop-1-en-2-yl)-3,3a,6,6a,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano)cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,7d(5H)-triol; (2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylene-3,3a,6,6a,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano)cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,7d(5H)-triol; 21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo(25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28)tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol; (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol; (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-10-isopropenyl-15,16,33,33-tetramethyl-24-methylene-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol; (2R,3S,3aR,4aS,4bS,6aR,6bS,8aS,9aR,11cR,15aS,15bR,17aS)-12-Chloro-8,8,15a,15b-tetramethyl-10-methylidene-2-(prop-1-en-2-yl)-3,3a,6,6a,6b,8,8a,9,9a,10,11,15a,15b,16,17,17a-hexadecahydro-2H,4bH-14,15-epiminobenzo[fg]cyclobuta[kl]oxireno[4',4a'][1]benzopyrano[6',5':4,5]indeno[1,2-d][3]benzoxocine-3,4b,11c(5H)-triol
物化属性
LogP
6.46
XLogP3-AA
3.8
pKa
13.22±0.70 (Predicted)
储存条件
密闭于2-8 ºC阴凉干燥环境中
分子量
634.2 g/mol
可旋转化学键数量
1
复杂度
1420
外观
类白色至淡黄色固体，具吸湿性，无定形
密度
1.4±0.1 g/cm³
折射率
1.698
拓扑极性表面积
107 Ų
氢键供体数量
4
氢键受体数量
6
溶解度
可溶于 DMSO（高达 6 mg/ml）
熔点
238 °C
碰撞截面
253 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]
