[4,16-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-3-phenylprop-2-enoate
[4,16-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-3-phenylprop-2-enoate · CAS 117869-72-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [4,16-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-3-phenylprop-2-enoate
- CAS
- 117869-72-4
- CID
- 14164410
- IUPAC 名称
- [4,16-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-3-phenylprop-2-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [4,16-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-3-phenylprop-2-enoate
- CAS
- 117869-72-4
- CID
- 14164410
- IUPAC 名称
- [4,16-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-3-phenylprop-2-enoate
分子属性
- 分子式
- C39H46O9
- 分子量
- 658.8 g/mol
- 精确质量
- 658.31418304 Da
- 单同位素质量
- 658.31418304 Da
- XLogP
- 5.6
- 极性表面积
- 122 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 9
- 重原子数
- 48
- 净电荷
- 0
- 结构复杂度
- 1370
结构标识
- InChIKey
- DGVWCAONVNVPRJ-NTCAYCPXSA-N
- SMILES
- CC(=O)OC1CC2C3(C(CC(C4(C3C(C(C2(C5=CCC(C15C)C6=COC=C6)C)O)OC4)C)OC(=O)C)OC(=O)/C=C/C7=CC=CC=C7)C
- InChI
- InChI=1S/C39H46O9/c1-22(40)46-29-19-31(48-32(42)15-12-24-10-8-7-9-11-24)39(6)28-18-30(47-23(2)41)37(4)26(25-16-17-44-20-25)13-14-27(37)38(28,5)35(43)33-34(39)36(29,3)21-45-33/h7-12,14-17,20,26,28-31,33-35,43H,13,18-19,21H2,1-6H3/b15-12+