(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide-21,21,22-d3
(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide-21,21,22-d3 · CAS 127299-95-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide-21,21,22-d3
- CAS
- 127299-95-0
- CID
- 45039017
- IUPAC 名称
- 3,5,5-trideuterio-4-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]furan-2-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide-21,21,22-d3
- CAS
- 127299-95-0
- CID
- 45039017
- IUPAC 名称
- 3,5,5-trideuterio-4-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]furan-2-one
分子属性
- 分子式
- C41H64O14
- 分子量
- 784 g/mol
- 精确质量
- 783.44843695 Da
- 单同位素质量
- 783.44843695 Da
- XLogP
- 1.3
- 极性表面积
- 203 Ų
- 氢键供体
- 6
- 氢键受体
- 14
- 可旋转键
- 7
- 重原子数
- 55
- 净电荷
- 0
- 结构复杂度
- 1450
结构标识
- InChIKey
- LTMHDMANZUZIPE-YTQDZEBXSA-N
- SMILES
- [2H]C1=C(C(OC1=O)([2H])[2H])C2CCC3(C2(C(CC4C3CCC5C4(CCC(C5)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)O)O)O)C)O)C)O
- InChI
- InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/i12D,18D2