25278-95-9 ((S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-,(S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-2-methylpropane-1,2-diol)

结构式：

(S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-MOL文件

CAS号：

25278-95-9

中文名称：

英文名称：

分子式：

C₃₀H₅₀O₅

分子量：

g/mol

API：

Meliantriol

(S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-(25278-95-9)名称与标识符

名称

中文别名：

化合物 T33279;

英文别名：

Lanost-7-ene-3,21,24,25-tetrol,21,23-epoxy-, (3b,13a,14b,17a,20S,21R,23R,24S)-;(3β,5ξ,13α,14β,20S,21R,23R,24S)-21,23-Epoxylanost-7-ene-3,21,24,2 5-tetrol;CID 101650343;MELIANTRIOL;(13α,14β,17α,20S,21R,23R,24S)-21,23-Epoxy-5α-lanost-7-ene-3β,21,24,25-tetrol;Lanost-7-ene-3,21,24,25-tetrol, 21,23-epoxy-, (3β,13α,14β,17α,20S,21R,23R,24S)-;25278-95-9;

标识符

InChIKey：

IKJQENAHDRKFKL-JJDPDEBESA-N

Inchi：

1S/C30H50O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-25,31-34H,9-16H2,1-7H3/t17-,18-,19-,21+,22-,23-,24-,25+,28+,29-,30+/m0/s1

SMILES：

O1[C@@H]([C@@H](C(C)(C)O)O)C[C@H]([C@@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)[C@H]3CC[C@]21C)O

(S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-(25278-95-9)物化性质

实验特性

LogP : 4.80780
PSA : 90.15000
折射率 : 1.57
沸点 : 620.6°Cat760mmHg
熔点 : 176-178 °C
闪点 : 329.1°C
酸度系数(pKa) : 12.99±0.60(Predicted)
密度 : 1.16

计算特性

精确分子量 : 490.366
氢键供体数量 : 4
氢键受体数量 : 5
可旋转化学键数量 : 3
同位素质量 : 490.366
重原子数量 : 35
复杂度 : 880
同位素原子数量 : 0
确定原子立构中心数量 : 10
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） : 5
拓扑分子极性表面积 : 90.2

(S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-(25278-95-9)安全信息

储存条件： Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
信号词： Warning

(S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-(25278-95-9)国际标准相关数据

EINECS：

(S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-(25278-95-9)相关文献

1. A locust phagorepellent from two melia species
D. Lavie,Mahendra K. Jain,S. R. Shpan-Gabrielith Chem. Commun. (London) 1967 910
2. Isolation of a substance that suppresses feeding in locusts
J. H. Butterworth,E. D. Morgan Chem. Commun. (London) 1968 23
3. Index pages
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4. Ozonolysis of neem oil: preparation and characterization of potent antibacterial agents against multidrug resistant bacterial strains
Paola de Oliveira,Nathália de Almeida,Martin Conda-Sheridan,Rafael do Prado Apparecido,Ana Camila Micheletti,Nadia Cristina Carvalho,Edson dos Anjos dos Santos,Maria Rita Marques,Eduardo de Arruda,Glaucia Braz Alcantara,Lincoln Carlos de Oliveira,Dênis de Lima,Adilson Beatriz RSC Adv. 2017 7 34356
5. The chemistry and biochemistry of insect hormones
Charles E. Berkoff Q. Rev. Chem. Soc. 1969 23 372
6. Cordialin A and B, two new triterpenes from Cordia verbenacea DC
Vincent Vande Velde,David Lavie,Raymond Zelnik,Amabile K. Matida,Sylvio Panizza J. Chem. Soc. Perkin Trans. 1 1982 2697
7. The chemistry of azadirachtin
S. V. Ley,A. A. Denholm,A. Wood Nat. Prod. Rep. 1993 10 109
8. Subject index
Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 1967 64 567
9. Rapid preconcentration method for the determination of azadirachtin-A and -B, nimbin and salannin in neem oil samples by using graphitised carbon solid phase extraction
Atmakuru Ramesh,Muthukrishnan Balasubramanian Analyst 1999 124 19

(S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-(25278-95-9)参考资料

Reaxys RN：

PubChem CID：

15560454

808127-97-1(5-Methylnicotinohydrazide) 808764-17-2(2-(Piperazin-1-yl)-acetic acid N-pyridin-3-yl-amide x 3 HCl) 80731-20-0(1,2,3-BENZENETRICARBONYL TRICHLORIDE) 80893-99-8(4-甲酰基-3-甲氧基苯甲酸) 80896-61-3(（反）N-苄基吡咯烷-4-苯基-3-甲酸乙酯) 80930-74-1(姜状三七苷R1) 80948-74-9(4-Bromo-N,3-dimethylaniline) 81025-03-8(（2S，3R，4R，5R）-4-{[（2R，3R，4S，5R，6S）-3,4,5,6-四羟基四氢-2H-吡喃-2-基]氧基}己烷-1,2,3,5,6-戊醇二水合物（非优选名称）)

960化工网为您提供(S)-1-((2R,4S,5R)-5-hydroxy-4-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-yl)-专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.25278-95-9,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:25278-95-9 国际站:25278-95-9