[1R-(1α,4aβ,4bα,10aα)]-1-菲羟 酸-1,2,3,4,4a,4b,5,6,10,10a-十氢代-1,4a-二甲基-7-(1-甲基乙 基)-1,2,3-丙三酯
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)- · CAS 20633-97-0
- 中文名
- [1R-(1α,4aβ,4bα,10aα)]-1-菲羟 酸-1,2,3,4,4a,4b,5,6,10,10a-十氢代-1,4a-二甲基-7-(1-甲基乙 基)-1,2,3-丙三酯
- 中文别名
- 暂无
- 英文名
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-
- CAS
- 20633-97-0
- CID
- 167920
- IUPAC 名称
- 2,3-bis[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxy]propyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
名称与编号
- 中文名
- [1R-(1α,4aβ,4bα,10aα)]-1-菲羟 酸-1,2,3,4,4a,4b,5,6,10,10a-十氢代-1,4a-二甲基-7-(1-甲基乙 基)-1,2,3-丙三酯
- 中文别名
- 暂无
- 英文名
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-
- CAS
- 20633-97-0
- CID
- 167920
- IUPAC 名称
- 2,3-bis[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]oxy]propyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
分子属性
- 分子式
- C63H92O6
- 分子量
- 945.4 g/mol
- 精确质量
- 944.68939065 Da
- 单同位素质量
- 944.68939065 Da
- XLogP
- 14.9
- 极性表面积
- 78.9 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 14
- 重原子数
- 69
- 净电荷
- 0
- 结构复杂度
- 2130
结构标识
- InChIKey
- YDRDTDKISFMAQR-SBGDMIGBSA-N
- SMILES
- CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@@]4(CCC[C@]5([C@H]4CC=C6[C@@H]5CCC(=C6)C(C)C)C)C)OC(=O)[C@@]7(CCC[C@]8([C@H]7CC=C9[C@@H]8CCC(=C9)C(C)C)C)C)C
- InChI
- InChI=1S/C63H92O6/c1-39(2)42-16-22-49-45(34-42)19-25-52-58(49,7)28-13-31-61(52,10)55(64)67-37-48(69-57(66)63(12)33-15-30-60(9)51-24-18-44(41(5)6)36-47(51)21-27-54(60)63)38-68-56(65)62(11)32-14-29-59(8)50-23-17-43(40(3)4)35-46(50)20-26-53(59)62/h19-21,34-36,39-41,48-54H,13-18,22-33,37-38H2,1-12H3/t49-,50-,51-,52+,53+,54+,58+,59+,60+,61+,62+,63+/m0/s1