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双穿心莲内酯 C | 160498-02-2

双穿心莲内酯 C结构式图片|160498-02-2结构式图片
双穿心莲内酯 C
2(5H)-Furanone,5-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-furanyl)ethyl]-3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethenyl]-(9CI)
160498-02-2
C40H56O8
664.86784
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:双穿心莲内酯 C结构式
12000062
双穿心莲内酯 C价格
名称和标识符
InChIKey WQHWOZANSOUSAY-LZBAHHAZSA-N
Inchi InChI=1S/C40H56O8/c1-23-7-11-31-37(3,16-13-33(43)39(31,5)21-41)28(23)10-9-25-19-30(48-35(25)45)27(26-15-18-47-36(26)46)20-29-24(2)8-12-32-38(29,4)17-14-34(44)40(32,6)22-42/h9-10,15,19,27-34,41-44H,1-2,7-8,11-14,16-18,20-22H2,3-6H3/b10-9+/t27?,28-,29-,30?,31+,32+,33-,34-,37+,38+,39+,40+/m1/s1
SMILES C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2CC(C3C=C(C(=O)O3)/C=C/[C@@H]4C(=C)CC[C@H]5[C@]4(CC[C@H]([C@@]5(C)CO)O)C)C6=CCOC6=O)(C)CO)O
别名信息
- 中文别名 -
  • 穿心莲内酯C
  • 双穿心莲内酯 C
- 英文别名 -
  • 2(5H)-Furanone,5-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-furanyl)ethyl]-3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethenyl]-(9CI)
  • BisandrographolideC
  • 2(5H)-Furanone,5-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-f
  • 2(5H)-Furanone,5-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-furanyl)ethyl]-3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-m
  • [ "" ]
  • Bisandrographolide C
  • FS-9360
  • 2(5H)-Furanone, 5-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-furanyl)ethyl]-3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethenyl]- (9CI)
  • CS-0023565
  • Q27075301
  • GTPL2502
  • 5-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-furanyl)ethyl]-3-[(1E)-2-[(1R,4aS,5R,6R,8aR)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethenyl]-2(5H)-furanone
  • 2(5H)-Furanone, 5-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-furanyl)ethyl]-3-[(1E)-2-[(1R,4aS,5R,6R,8aR)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethenyl]-
  • Bisandrographolide A
  • bisandrographolide
  • AKOS032948243
  • 160498-02-2
  • A930041
  • 3-[(E)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-5-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(2-oxo-5H-furan-3-yl)ethyl]-5H-furan-2-one
  • 4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-[2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(5-oxo-2H-furan-4-yl)ethyl]-2H-furan-5-one
  • 160498-00-0
  • HY-N2940
  • Bisandrographolide A
  • Diastereoisomer (1)
  • Bisandrographolide A
  • Diastereoisomer (2)
物化性质
实验特性
LogP 5.36790
PSA 133.52
沸点 832.6±65.0 °C at 760 mmHg
蒸气压 0.0±0.6 mmHg at 25°C
闪点 252.3±27.8 °C
颜色与性状 Powder
密度 1.2±0.1 g/cm3
计算特性
精确分子量 664.39768
氢键供体数量 4
氢键受体数量 8
可旋转化学键数量 8
同位素质量 664.398
重原子数量 48
复杂度 1440
同位素原子数量 0
确定原子立构中心数量 10
不确定原子立构中心数量 2
确定化学键立构中心数量 1
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 7.265
拓扑分子极性表面积 134A^2
专业数据库参考
PubChemId 12000062
参考资料
Reaxys RN
960化工网为您提供双穿心莲内酯 C专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:160498-02-2,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:160498-02-2
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