7,8,18,28,29,35,55,56,58-Nonahydroxy-30-(hydroxymethyl)-13,18,37,41,48,48,53,54,54-nonamethyl-57-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione

分子结构分类

有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质

中文名称

——

中文别名

——

英文名称

7,8,18,28,29,35,55,56,58-Nonahydroxy-30-(hydroxymethyl)-13,18,37,41,48,48,53,54,54-nonamethyl-57-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione

英文别名

7,8,18,28,29,35,55,56,58-nonahydroxy-30-(hydroxymethyl)-13,18,37,41,48,48,53,54,54-nonamethyl-57-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione

CAS

——

化学式

C₆₄H₁₀₀O₂₉

mdl

——

分子量

1333.5

InChiKey

LZNXDNDTHPMVMR-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-0.7
重原子数：

93
可旋转键数：

4
环数：

19.0
sp3杂化的碳原子比例：

0.92
拓扑面积：

445
氢给体数：

14
氢受体数：

29

同类化合物

（5β，6α，8α，10α，13α）-6-羟基-15-氧代黄-9（11），16-二烯-18-油酸（3S，3aR，8aR）-3,8a-二羟基-5-异丙基-3,8-二甲基-2,3,3a，4,5,8a-六氢-1H-天青-6-酮（2Z）-2-（羟甲基）丁-2-烯酸乙酯（2S，4aR，6aR，7R，9S，10aS，10bR）-甲基9-（苯甲酰氧基）-2-（呋喃-3-基）-十二烷基-6a，10b-二甲基-4，10-dioxo-1H-苯并[f]异亚甲基-7-羧酸盐（+）顺式，反式-脱落酸-d6 龙舌兰皂苷乙酯龙脑香醇酮龙脑烯醛龙脑7-O-[Β-D-呋喃芹菜糖基-(1→6)]-Β-D-吡喃葡萄糖苷龙牙楤木皂甙VII 龙吉甙元齿孔醇齐墩果醛齐墩果酸苄酯齐墩果酸甲酯齐墩果酸乙酯齐墩果酸3-O-alpha-L-吡喃鼠李糖基(1-3)-beta-D-吡喃木糖基(1-3)-alpha-L-吡喃鼠李糖基(1-2)-alpha-L-阿拉伯糖吡喃糖苷齐墩果酸 beta-D-葡萄糖酯齐墩果酸 beta-D-吡喃葡萄糖基酯齐墩果酸 3-乙酸酯齐墩果酸 3-O-beta-D-葡吡喃糖基 (1→2)-alpha-L-吡喃阿拉伯糖苷齐墩果酸齐墩果-12-烯-3b,6b-二醇齐墩果-12-烯-3,24-二醇齐墩果-12-烯-3,21,23-三醇,(3b,4b,21a)-(9CI) 齐墩果-12-烯-3,11-二酮齐墩果-12-烯-2α,3β,28-三醇齐墩果-12-烯-29-酸,3,22-二羟基-11-羰基-,g-内酯,(3b,20b,22b)- 齐墩果-12-烯-28-酸,3-[(6-脱氧-4-O-b-D-吡喃木糖基-a-L-吡喃鼠李糖基)氧代]-,(3b)-(9CI) 鼠特灵鼠尾草酸醌鼠尾草酸鼠尾草酚酮鼠尾草苦内脂黑蚁素黑蔓醇酯B 黑蔓醇酯A 黑蔓酮酯D 黑海常春藤皂苷A1 黑檀醇黑果茜草萜 B 黑五味子酸黏黴酮黏帚霉酸黄黄质黄钟花醌黄质醛黄褐毛忍冬皂苷A 黄蝉花素黄蝉花定

7,8,18,28,29,35,55,56,58-Nonahydroxy-30-(hydroxymethyl)-13,18,37,41,48,48,53,54,54-nonamethyl-57-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione

分子结构分类

计算性质

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