14-去氧穿心莲内酯 | 4176-97-0

中文名称：14-去氧穿心莲内酯
英文名称：14-Deoxyandrographolide
CAS No.：4176-97-0 分子式：C₂₀H₃₀O₄ 分子量：334.4498
植物源：穿心莲
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：14-去氧穿心莲内酯结构式
价格行情：14-去氧穿心莲内酯价格
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14-去氧穿心莲内酯的其他展现形式

相关化合物

穿心莲内酯 Andrographolide CAS No.：5508-58-7

筋骨草素G1 2-Butenoic acid,2-methyl-,(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-[(2S)-2-methyl-1-oxobutoxy]ethyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-4-ylester, (2E)- CAS No.：122587-83-1

金疮小草素A 2-Butenoic acid,2-methyl-,[(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-8a-yl]methylester, (2E)- CAS No.：124961-66-6

2(5H)-Furanone,4-[2-[(1S,2R,4S,4aR,7R,8aR)-decahydro-4,7-dihydroxy-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]ethyl]- CAS No.：161995-31-9

Butanoic acid,2-methyl-,(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[(2S)-2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]octahydro-8a-(hydroxymethyl)-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-4-ylester, (2S)- CAS No.：123297-93-8

1H-Naphtho[1,8a-c]furan-3(5H)-one,7-[(2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl]-6,6a,7,8,9,10-hexahydro-5-hydroxy-7,8-dimethyl-,(5S,6aR,7S,8R,10aS)- CAS No.：103974-71-6

简介

14-Deoxyandrographolide 是一种具有钙通道 (calcium channel) 阻断活性的劳丹脂二萜。14-Deoxyandrographolide 通过诱导 TNFRSF1A 的释放，逐渐使肝细胞对 TNF-α 介导的凋亡脱敏。

名称和标识符

MDL	MFCD01861504
InChIKey	GVRNTWSGBWPJGS-YSDSKTICSA-N
Inchi	1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1
SMILES	O([H])[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])C3C(=O)OC([H])([H])C=3[H])C(=C([H])[H])C([H])([H])C([H])([H])[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])O[H]

别名信息

- 中文别名 -

14-去氧穿心莲内酯去氧脱水穿心莲内酯去氧穿心莲内酯去氧穿心莲内酯(RG)

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- 英文别名 -

2(5H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]- 3-[2-[(1R,4aβ)-2-Methylene-5α-(hydroxymethyl)-5,8aα-dimethyl-6α-hydroxydecalin-1α-yl]ethyl]-2,5-dihydrofuran-2-one 14-Deoxyandrographolide 2(5H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl] DEOXYANDROGRAPHOLIDE DEOXYANDROGRAPHOLIDE(RG) 10-Dehydro-browniin 14-Dehydro-browniin 14-Dehydrobrowniine 20-ethyl-7,8-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-one 3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxyl-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)furan-2(5H)-one Aconitan-14-one,20-ethyl-7,8-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-,(1alpha,6beta,16beta) Dehydrobrowniin AD 04130-4 3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone WLN91FAQ6Z 3-(2-((1R,4aS,5R,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)furan-2(5H)-one 7998AH 3-(2-((1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-2(5H)-furanone 2(5H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl

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物化性质

实验特性

LogP	2.99180
PSA	66.76000
折射率	1.551
沸点	509.5°C at 760 mmHg
熔点	176-178 ºC
闪点	177.3°C
颜色与性状	Cryst.
密度	1.15

计算特性

精确分子量	334.21400
氢键供体数量	2
氢键受体数量	4
可旋转化学键数量	4
同位素质量	334.21440943 g/mol
重原子数量	24
复杂度	566
同位素原子数量	0
确定原子立构中心数量	5
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	3.4
拓扑分子极性表面积	66.8
分子量	334.4

安全信息纠错

储存条件	(BD293229)