[17-acetyl-3-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy]tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] 4-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentanoate

分子结构分类

有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物

中文名称

——

中文别名

——

英文名称

[17-acetyl-3-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy]tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] 4-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentanoate

英文别名

[17-acetyl-3-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] 4-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoate

[17-acetyl-3-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy]tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] 4-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentanoate化学式

CAS

——

化学式

C₅₁H₈₂O₂₃

mdl

——

分子量

1063.2

InChiKey

OJBSJPFDQZUALV-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-2.1
重原子数：

74
可旋转键数：

17
环数：

8.0
sp3杂化的碳原子比例：

0.92
拓扑面积：

360
氢给体数：

12
氢受体数：

23

同类化合物

（5β）-17,20:20,21-双[亚甲基双（氧基）]孕烷-3-酮（5α）-2′H-雄甾-2-烯并[3,2-c]吡唑-17-酮（3β，20S）-4,4,20-三甲基-21-[[[三（异丙基）甲硅烷基]氧基]-孕烷-5-烯-3-醇-d6 （25S）-δ7-大发酸（20R）-孕烯-4-烯-3,17,20-三醇（11β，17β）-11-[4-（{5-[（4,4,5,5,5-五氟戊基）磺酰基]戊基}氧基）苯基]雌二醇-1,3,5（10）-三烯-3,17-二醇齐墩果酸衍生物1 黄麻属甙黄芪皂苷III 黄芪皂苷 II 黄芪甲苷 IV 黄芪甲苷黄肉楠碱黄果茄甾醇黄杨醇碱E 黄姜A 黄夹苷B 黄夹苷黄夹次甙乙黄夹次甙乙黄夹次甙丙黄体酮环20-(乙烯缩醛) 黄体酮杂质EPL 黄体酮杂质1 黄体酮杂质黄体酮杂质黄体酮EP杂质M 黄体酮EP杂质G(RRT≈2.53) 黄体酮EP杂质F 黄体酮6-半琥珀酸酯黄体酮 17alpha-氢过氧化物黄体酮 11-半琥珀酸酯黄体酮麦角甾醇葡萄糖苷麦角甾醇氢琥珀酸盐麦角甾烷-6-酮,2,3-环氧-22,23-二羟基-,(2b,3b,5a,22R,23R,24S)-(9CI) 麦角甾烷-3,6,8,15,16-五唑,28-[[2-O-(2,4-二-O-甲基-b-D-吡喃木糖基)-a-L-呋喃阿拉伯糖基]氧代]-,(3b,5a,6a,15b,16b,24x)-(9CI) 麦角甾烷-26-酸,5,6:24,25-二环氧-14,17,22-三羟基-1-羰基-,d-内酯,(5b,6b,14b,17a,22R,24S,25S)-(9CI) 麦角甾-8-烯-3-醇麦角甾-8,24(28)-二烯-26-酸,7-羟基-4-甲基-3,11-二羰基-,(4a,5a,7b,25S)- 麦角甾-7,22-二烯-3-酮麦角甾-7,22-二烯-17-醇-3-酮麦角甾-5,24-二烯-26-酸,3-(b-D-吡喃葡萄糖氧基)-1,22,27-三羟基-,d-内酯,(1a,3b,22R)- 麦角甾-5,22,25-三烯-3-醇麦角甾-4,6,8(14),22-四烯-3-酮麦角甾-1,4-二烯-3-酮,7,24-二(乙酰氧基)-17,22-环氧-16,25-二羟基-,(7a,16b,22R)-(9CI) 麦角固醇麦冬皂苷D 麦冬皂苷D 麦冬皂苷 B

[17-acetyl-3-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy]tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] 4-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentanoate

分子结构分类

计算性质

同类化合物

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