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Neoandrographolide (27215-14-1)

Identification
Name:Neoandrographolide
Synonyms:{(1R,4aS,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthalen-1-yl}methyl beta-D-glucopyranoside;2(5H)-Furanone, 3-(2-(5-((beta-D-glucopyranosyloxy)methyl)decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-, (1R-(1alpha,4abeta,5alpha,8aalpha))-;3-[2-[(4as,5r,8as)-5,8a-dimethyl-2-methylidene-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]ethyl]-5h-furan-2-one;ANDROGRAPHOLIDE, NEO-;
CAS:27215-14-1
Molecular Formula: C26H40 O8
Molecular Weight: 480.59
InChI: InChI=1/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17?,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1
Molecular Structure: (C26H40O8) {(1R,4aS,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthale...
Properties
Density:1.27 g/cm3
Refractive index:1.576
Appearance:Colorless columnar crystal
Specification:

The Neoandrographolide with the cas number 27215-14-1, is also called {(1R,4aS,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthalen-1-yl}methyl beta-D-glucopyranoside . This chemical can be soluble in methanol, ethanol, acetone, pyridine, slightly soluble in water, chloroform, insoluble in ether and petroleum ether.The Pharmacological effects of This chemical are: (1)heat-clearing and detoxicating; (2)relieve swelling and pain.

The properties of the Neoandrographolide are: (1)#H bond acceptors:  8  ; (2)#H bond donors:  4  ; (3)#Freely Rotating Bonds:  11 ; (4)Polar Surface Area:  81.68 Å ; (5)Index of Refraction:  1.576  ; (6)Molar Refractivity:  124.83 cm ; (7)Molar Volume:  377 cm; (8)Polarizability:  49.48×10-24cm ; (9)Surface Tension:  56.8 dyne/cm  ; (10)Enthalpy of Vaporization:  112.38 kJ/mol  ; (11)Vapour Pressure:  1.06×10-20 mmHg at 25°C .

This product can be supplied by the following suppliers:(1)Topharman Shanghai Co., Ltd. ; (2)Shanghai Zhanshu Chemical Technology Co., Ltd.  ; (3)Nanjing Tcm Institute of Chinese Materia Medica ; (4)Lanospharma Laboratories Co.,Ltd.; (5)Hangzhou Sunny Chemical Co., Ltd.; (6)Link Chemicals Co.,Ltd.; (7)Nanjing Chemlin Chemical Co., Ltd.; (8)BBT INC ; (9)AlliChem, LLC .

You can still convert the following datas into molecular structure :
1.O=C\1OC/C=C/1CCC3\C(=C)CC[C@@H]4[C@@](CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)(C)CCC[C@@]34C
2.InChI=1/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17?,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1

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