N-[3β-hydroxy-lup-20(29)-en-28-oyl]-8-aminooctanoic acid | 150841-42-2

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

N-[3β-hydroxy-lup-20(29)-en-28-oyl]-8-aminooctanoic acid

英文别名

8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoic acid

N-[3β-hydroxy-lup-20(29)-en-28-oyl]-8-aminooctanoic acid化学式

CAS

150841-42-2

化学式

C₄₀H₆₅NO₅

mdl

——

分子量

639.96

InChiKey

YAVZYXCREQPFIR-IJMADOHJSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

10.2
重原子数：

46
可旋转键数：

12
环数：

5.0
sp3杂化的碳原子比例：

0.88
拓扑面积：

92.7
氢给体数：

2
氢受体数：

5

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	3-O-acetylbetulinic acid chloride	59868-82-5	C₃₂H₄₉ClO₃	517.192

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	methyl 5-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]pentanoate	174740-10-4	C₄₆H₇₆N₂O₆	753.119
——	methyl 4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]butanoate	174740-09-1	C₄₅H₇₄N₂O₆	739.092
——	ethyl 3-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]propanoate	174740-08-0	C₄₅H₇₄N₂O₆	739.092
——	methyl 2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]acetate	150841-41-1	C₄₃H₇₀N₂O₆	711.039
——	methyl 3-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-2-methylpropanoate	174740-22-8	C₄₅H₇₄N₂O₆	739.092
——	methyl (4R)-4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-6-methylheptanoate	174740-29-5	C₄₉H₈₂N₂O₆	795.2
——	methyl 3-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]butanoate	174740-23-9	C₄₅H₇₄N₂O₆	739.092
——	methyl 4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-hydroxybutanoate	174740-28-4	C₄₅H₇₄N₂O₇	755.092
——	methyl 3-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-fluoropropanoate	174740-24-0	C₄₄H₇₁FN₂O₆	743.056
——	ethyl 2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoyl-methylamino]acetate	174740-15-9	C₄₅H₇₄N₂O₆	739.092
——	methyl 2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-2-methylpropanoate	174740-12-6	C₄₅H₇₄N₂O₆	739.092
——	methyl (2S)-2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-hydroxypropanoate	174740-13-7	C₄₄H₇₂N₂O₇	741.065
——	methyl (2R)-2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-hydroxypropanoate	174740-14-8	C₄₄H₇₂N₂O₇	741.065
——	N'-(N-(3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-5-aminopentanoic acid	174740-46-6	C₄₃H₇₂N₂O₅	697.055
4-[(8-{[(3β)-3-羟基-28-羰基羽扇-20(29)-烯-28-基]氨基}辛酰)氨基]丁酸	N'-(N-(3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-aminobutryic acid	150840-73-6	C₄₂H₇₀N₂O₅	683.028
——	methyl 1-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoyl]piperidine-3-carboxylate	174740-26-2	C₄₇H₇₆N₂O₆	765.13
N-(8-{[(3β)-3-羟基-28-羰基羽扇-20(29)-烯-28-基]氨基}辛酰)-β-丙氨酸	N'-(N-(3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-3-aminopropanoic acid	150840-55-4	C₄₁H₆₈N₂O₅	669.001
——	N'-[N-[3β-hydroxylup-20(29)-en-28-oyl]-8-aminooctanoyl]glycine	150840-52-1	C₄₀H₆₆N₂O₅	654.974
3-[[8-[[(3B)-3-羟基-28-氧代羽扇-20(29)-烯-28-基]氨基]-1-氧代辛基]氨基]-2-甲基-丙酸	3-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-2-methylpropanoic acid	174740-51-3	C₄₂H₇₀N₂O₅	683.028
——	methyl (3S,4S)-4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-hydroxy-6-methylheptanoate	174740-27-3	C₄₉H₈₂N₂O₇	811.199