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. 2024 Nov 14;15:1483856. doi: 10.3389/fphar.2024.1483856

TABLE 2.

Secondary metabolites identified in the Dichloromethane (VD-DCM) and Ethyl Acetate (VD-EA) leaf Extracts of Vitex doniana.

Extract Class Name Molecular formula Molecular weight Retention time (minutes) % area
VD-DCM Diterpenoid Neophytadiene C20H38 278 16.719 1.18
Diterpenoid Phytol, acetate C22H42O2 338 19.637 0.51
Steroid 9,19-Cyclocholestan-3-ol, 14-methyl-, (3β,5α)- C28H48O 400 22.919 2.50
Phytosterol Stigmasta-4,22-dien-3β-ol C29H48O 412 23.638 2.96
Phytosterol γ-Sitosterol C29H50O 414 25.864 41.75
Fatty acid ester 6-Fluoro-2-trifluoromethylbenzoic acid, eicosyl ester C28H44F4O2 488 26.020 3.81
Triterpenoid 9,19-Cyclolanost-24-en-3-ol, (3β)- C30H50O 426 27.940 9.17
Triterpenoid Lup-20(29)-en-3-one C30H48O 424 28.619 6.02
Phytosterol Stigmasta-3,5-dien-7-one C29H46O 410 29.834 21.19
Phytosterol Stigmast-4-en-3-one C29H48O 412 31.589 10.91
VD-EA Sesquiterpenoid (3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta [1,3] cyclopropa[1,2]benzen-3-ol C15H26O 222 11.954 0.99
Sesquiterpene α-Copaene C15H24 204 12.219 1.53
Sesquiterpene Ylangene C15H24 204 13.061 0.68
Sesquiterpene Bicyclo[4.4.0]dec-1-ene, 2-isopropyl-5-methyl-9-methylene- C15H24 204 13.863 2.46
Sesquiterpene alcohol τ-Muurolol C15H26O 222 14.044 1.38
Sesquiterpene α-Calacorene C15H20 200 14.194 0.29
Sesquiterpene alcohol 1-((1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl) e C15H26O2 238 15.061 14.67
Sesquiterpene alcohol (−)-Spathulenol C15H24O 220 15.189 1.19
Sesquiterpene (3S,6S)-6-Isopropyl-3-methyl-2-(propan-2-ylidene)-3-vinylcyclohexanone C15H24O 220 15.650 2.08
Diterpenoid Neophytadiene C20H38 278 15.721 2.57
Sesquiterpene Isoaromadendrene epoxide C15H24O 220 15.839 4.23
Aldehyde 6-Nonenal, 3,7-dimethyl- C11H20O 168 15.908 2.39
Steroid Pregn-4-ene-1,20-dione, 12-hydroxy-16,17-dimethyl- C23H34O3 358 16.165 4.19
Phthalate ester Phthalic acid, 4,4-dimethylpent-2-yl isobutyl ester C19H28O4 320 16.260 1.18
Spiroketone Spiro [2.5] octane, 5,5-dimethyl-4-(3-oxobutyl)- C14H24O 208 16.677 0.74
Acetic acid ester Acetic acid, 3-(2,2-dimethyl-6-methylene-cyclohexylidene)-1-methyl-butyl ester C16H26O2 250 16.876 1.40
Spiroketone Spiro [2.5] octane, 5,5-dimethyl-4-(3-oxobutyl)- C14H24O 208 17.150 0.58
Tricyclic diterpenoid 4,6,10,10-Tetramethyl-5-oxatricyclo [4.4.0.0(1,4)] dec-2-en-7-ol C13H20O2 208 17.204 1.61
Kaurane diterpenoid Kauran-18-aL, 17-(acetyloxy)-, (4β)- C22H34O3 346 17.764 1.94
Triterpenoid 3-O-Acetyl-6-methoxy-cycloartenol C33H54O3 498 18.289 2.54
Diterpenoid 3,7,11,15-Tetramethyl-2-hexadecen-1-ol C20H40O 296 18.634 2.95
Alkane Tridecane, 5-propyl- C16H34 226 21.974 0.60
Alkane Hentriacontane C31H64 436 23.800 11.61
Triterpene Squalene C30H50 410 25.231 1.24
Alkane Pentatriacontane C35H72 492 26.266 15.40
Flavonoid 2-(3,4-Dimethoxyphenyl)-7-hydroxy-3-methoxy-4H-chromen-4-one C18H16O6 328 28.975 2.36
Alkane Tetratetracontane C44H90 618 29.893 17.17