名称和标识符别名信息物化性质专业数据库参考化合物详情（旧版）相关产品

筋骨草素F4 | 122587-84-2

中文名称：筋骨草素F4

英文名称： [(1S)-2-[(1S,2R,4S,4aR,5R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate

CAS No.： 122587-84-2

分子式： C₂₉H₄₂O₉

分子量： 534.6384

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：筋骨草素F4结构式

PubChem CID： 180117

价格行情：筋骨草素F4价格

快速询单国内供应商

筋骨草素F4的其他展现形式

相关化合物

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
大高良姜内酯

2(3H)-Furanone,dihydro-3-[2-[(1R,2S,4aS,8aS)-octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2'-oxiran]-1-yl]ethylidene]-,(3E)-

CAS No.：115753-79-2
昂曲托来

Omtriptolide

CAS No.：195883-06-8
16-羟基雷公藤内酯醇

16-Hydroxytriptolide

CAS No.：139713-80-7
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
Pentanoic acid,3-hydroxy-,(3R,4R,5aS,5bR,7aS,8S,11aS,11bR,13R,13aS)-8-ethyl-1,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-4-hydroxy-3,5b,8,11a,13a-pentamethyl-1-oxochryseno[1,2-c]furan-13-ylester

CAS No.：145613-54-3

名称和标识符

InChIKey	LJHYCABROUGORR-ZYWPFBEMSA-N
Inchi	1S/C29H42O9/c1-7-17(2)26(33)38-22(21-12-25(32)34-14-21)13-27(6)18(3)11-24(37-20(5)31)29(16-35-19(4)30)23(27)9-8-10-28(29)15-36-28/h12,17-18,22-24H,7-11,13-16H2,1-6H3/t17?,18-,22+,23-,24+,27+,28+,29+/m1/s1
SMILES	O1C([H])([H])[C@@]21C([H])([H])C([H])([H])C([H])([H])[C@]1([H])[C@@](C([H])([H])[H])(C([H])([H])[C@@]([H])(C3=C([H])C(=O)OC3([H])[H])OC(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=O)[C@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])([C@@]21C([H])([H])OC(C([H])([H])[H])=O)OC(C([H])([H])[H])=O

别名信息

- 中文别名 -

筋骨草素F4

- 英文别名 -

Butanoic acid,2-methyl-,(1S)-2-[(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethylester, (2S)-
Ajugamarin F4
[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
Butanoic acid,2-methyl-,(1S)-2-[(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphtha
Butanoic acid,2-methyl-,(1S)-2-[(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethylester, (2S)

[(1S)-2-[(1S,2R,4S,4aR,5R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexah
Ajugamarin F 4
122587-84-2
2-{8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl 2-methylbutanoate
AKOS040736131
Butanoic acid, 2-methyl-, 2-(8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (1R-(1alpha,4abeta,5beta(S*(S*)),6alpha,8alpha,8aalpha))-
DTXSID70924209

物化性质

实验特性

PSA	117.73
折射率	1.53
沸点	622.5°Cat760mmHg
熔点	162-163 ºC
闪点	260.5°C
溶解度	几乎不溶 (0.091 g/L) (25 ºC),
颜色与性状	Powder
密度	1.20±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量	534.28296
氢键供体数量	0
氢键受体数量	9
可旋转化学键数量	12
同位素质量	534.282883
重原子数量	38
复杂度	1000
同位素原子数量	0
确定原子立构中心数量	7
不确定原子立构中心数量	1
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）	3.6
拓扑分子极性表面积	118

专业数据库参考

PubChemId	180117

化合物详情（旧版）

SMILES

CC[C@H](C)C(=O)O[C@H](C1=CC(=O)OC1)C[C@]2(C)[C@@H]3[C@]([C@@H](OC(C)=O)C[C@H]2C)(COC(C)=O)C4(CCC3)OC4

筋骨草素F4 | 122587-84-2

平台在线客服