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Table 1 List of all compounds identified in the GC-MS analysis of ethyl acetate fraction of Isodon rugosus

From: Demonstration of biological activities of extracts from Isodon rugosus Wall. Ex Benth: Separation and identification of bioactive phytoconstituents by GC-MS analysis in the ethyl acetate extract

S. No Compound Label RT Name Formula Hits (DB)
1. Cyclohexanone (CAS) $$ Anon $$ Anone $$ Nadone $$ Hexanon $$ Sextone 3.858 Cyclohexanone C6H10O 10
2. Ethanol, 2-ethoxy-, acetate (CAS) $$ 2-Ethoxyethyl acetate $$ Oxitol acetate 3.936 Oxitol acetate C6H12O3 10
3. Cyclopentane, 1,1,3,4-tetramethyl-, trans- (CAS) 4.726 Nf C9H18 10
4. 1-(4-Tosyloxybutyl)-3-(1-methoxy-1-methylethoxy)clopentene 4.842 Nf C20H30O5S 1
5. (1.alpha.,5.alpha.,6.alpha.,7.alpha.)-6,7-(Z,E)-Dipropenyl-3-oxabicyclo[3.2.... 5.428 Nf C12H18O 6
6. Butanedioic acid, ethyl methyl ester (CAS) $$ 1-Ethyl 4-methyl succinate 7.031 Nf C7H12O4 10
7. N-Butylpropargylamine 7.156 Butylpropargylamine C7H13N 10
8. 2-Cyclohexen-1-one, 3,5,5-trimethyl- (CAS) $$ 3,5,5-Trimethyl-2-cyclohexenone 7.366 Nf C9H14O 10
9. Succinic acid, butyl ethyl ester 8.151 Nf C10H18O4 10
10. Butanedioic acid (CAS) $$ Succinic acid (CAS) $$ Asuccin $$ Amber acid 8.234 Amber acid C4H6O4 10
11. Undecane, 4-methyl- (CAS) $$ 4-Methylundecane $$ 4 - methyl - undecane 8.456 Nf C12H26 10
12. 1-(1,1-dimethyl-2-propenyl)-1-cyclohexene 10.256 Nf C11H18 10
13. Dodecane, 2-methyl- (CAS) $$ 2-Methyldodecane $$ 11-Methyldodecane 11.258 Nf C13H28 10
14. (+)-(E)-N,N-Di-tert-butoxycarbonyl-1,3-diphenylprop-2-enyamine 12.008 Nf C25H31NO4 1
15. Benzene, 1-(bromomethyl)-3-nitro- $$ m-(Bromomethyl)nitrobenzene 12.284 Nf C7H6BrNO2 10
16. rac-.gamma.(2)-muurolene 12.418 rac-γ(2)-muurolene C16H24 10
17. Decane, 3-bromo- $$ 3-Bromodecane # 12.54 Nf C10H21Br 1
18. Acetic Acid 2-(4-Hydroxyphenyl)ethyl Ester 13.523 Nf C10H12O3 10
19. Tetradecane, 1-chloro- $$ Myristyl chloride $$ Tetradecyl chloride 13.738 Myristyl chloride C14H29Cl 10
20. alpha.-Amorphene $$. ALPHA. AMORPHENE $$ 6.alpha.-Cadina-4,9-diene, (−)- 14.153 α-Amorphene C15H24 10
21. alpha.-Copaene $$ Copaene (CAS) $$ Copaen $$ (−)-.alpha.-Copaene 14.516 Copaen C15H24 10
22. alpha.-Cadinol $$ Cadin-4-en-10-ol $$ l-.alpha.-Cadinol $$ 10-.ALPHA.-CADINOL 14.64 α-Cadinol C15H26O 10
23. 4-((1E)-3-Hydroxy-1-propenyl)-2-methoxyphenol 15.859 Nf C10H12O3 10
24. (−)-Loliolide $$ Loliolide $$ Loliolid $$ Digiprolactone $$ Calendin 16.428 Loliolide C11H16O3 2
25. Neophytadiene $$ 7,11,15-TRIMETHYL,3-METHYLENE-1-HEXADECENE 17.314 Neophytadiene C20H38 10
26. R-7-endo-p-phenylbenzoyloxy-6-anti-(.beta.-phenylethenyl)-2-oxa-bicyclo[3.3.... 17.447 Nf C27H24O3 1
27. 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- (CAS) 18.25 Nf C20H40O 10
28. Hexadecanoic acid, methyl ester (CAS) $$ Methyl palmitate $$ Uniphat A60 19.316 Methyl palmitate C17H34O2 10
29. n-Hexadecanoic acid $$ Hexadecanoic acid $$ n-Hexadecoic acid $$ Palmitic acid 20.498 Palmitic acid C16H32O2 10
30. Hexadecanoic acid, ethyl ester (CAS) $$ Ethyl palmitate $$ Ethyl hexadecanoate 21.386 Ethyl palmitate C18H36O2 10
31. CIS-11,14,17-EICOSATRIENOIC ACID ME 25.548 Nf C21H36O2 10
32. Phytol $$ 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- 26.041 Phytol C20H40O 10
33. 17-Octadecynoic acid 27.132 Nf C18H32O2 10
34. Linoleic acid ethyl ester $$ Ethyl linoleate $$ Ethyl linolate $$ Mandenol 27.616 Mandenol C20H36O2 10
35. Acetic acid, chloro-, hexadecyl ester $$ Chloro-acetic acid hexadecyl ester 27.817 Nf C18H35ClO2 10
36. 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- $$ Methyl linolenate 27.831 Methyl linolenate C19H32O2 10
37. Octadecanoic acid, ethyl ester (CAS) $$ Ethyl stearate $$ Ethyl octadecanoate 28.617 Ethyl stearate C20H40O2 10
38. Neophytadiene $$ 7,11,15-TRIMETHYL,3-METHYLENE-1-HEXADECENE 29.321 Neophytadiene C20H38 10
39. Hexadecanoic acid, ethyl ester (CAS) $$ Ethyl palmitate $$ Ethyl hexadecanoate 33.473 Ethyl palmitate C18H36O2 10
40. Naphthalene, 1,2,3,4-tetrahydro-1-isopropyl-1,2,4,4,7-pentamethyl- 35.4 Nf C18H28 1
41. 3,4,8-trimethyl-9-oxy-1-trimethylsilyloxybicyclo[4.3.1]non-1-ene 35.883 Nf C15H26O2Si 10
42. Di-(2-ethylhexyl)phthalate $$ 1,2-BENZENEDICARBOXYLIC ACID 36.417 Nf C24H38O4 10
43. Hinokione $$ (+)-Hinokione 36.604 Hinokione C20H28O2 10
44. [1, 3, 4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-(2,5-dimethoxybenzylidene)-5-imi... 37.056 Nf C15H14N4O3S 1
45. Hinokiol $$ (+)-Hinokiol 37.242 Hinokiol C20H30O2 4
46. 7,8,9-Trimethoxy-4,5-dihydro-1H-benzo[g]indazole 39.446 Nf C14H16N2O3 1
47. 13b–methyl-3-propyl-1,3,4,6,7,8,13,13b–octahydro-2 h-pyrido[1′,2′:1,2]azepino... 40.14 Nf C20H28N2 10
48. 7,7-Dimethyl-6,7-diihydro-5H-benzo[f]pyrano[2,3-h]quinoxaline 40.607 Nf C17H16N2O 2
49. 3-[(3,4-dimethoxy-benzylamino)-methyl]-8a–methyl-5-methylene-decahydro-napht... 40.934 Nf C24H33NO4 1
50. 1-Hexadecanol (CAS) $$ Cetal $$ Ethal $$ Ethol $$ Cetanol $$ Cetylol $$ Adol 52 43.494 Cetylol C16H34O 10
51. dl-.alpha.-Tocopherol $$ (.+/−.)-.alpha.-Tocopherol $$ Vitamin E 45.326 Vitamin E C29H50O2 7
52. 1,3-Diethyladamantane 49.926 Nf C14H24 2
53. Stigmasta-5,22-dien-3-ol, acetate, (3.beta.)- $$ Stigmasterol acetate 50.163 Stigmasterol acetate C31H50O2 6
54. Viminalol $$ Urs-12-en-3-ol, (3.beta.)- (CAS) $$ .alpha.-Amyrin $$ ALPHA-AMYRIN 50.299 Viminalol C30H50O 10
55. 4,6-Dimethoxy-2,3-diphenyl-7-(1-pyrrolin-2-yl)indole 51.53 Nf C26H24N2O2 3
56. Stigmast-4-en-3-one $$ 4-Stigmasten-3-one $$ Sitostenone 51.622 Sitostenone C29H48O 1
57. 4-Hydroxy-1,2-dimethoxyanthraquinone 62.475 Nf C16H12O5 3