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. 2023 Jul 28;12(15):2796. doi: 10.3390/plants12152796

Table 2.

Chemical composition of essential oil from Ageratina dendroides.

CN RT Compound RIC RIR % SD Type CF MM (Da)
1 11.29 ο-Cymene 1024 1022 0.51 0.07 MH C10H14 134.11
2 24.36 Thymol, methyl ether 1235 1232 0.33 0.05 OC C11H16O 164.12
3 27.69 neoiso-Verbanol acetate 1329 1328 0.18 0.01 OC C12H20O2 196.15
4 30.25 δ-Elemene 1333 1335 2.16 0.09 SH C15H24 204.19
5 30.86 α-Cubebene 1344 1348 0.48 0.07 SH C15H24 204.19
6 31.99 Neryl acetate 1364 1359 0.06 0.00 OC C12H20O2 196.15
7 32.36 Cyclosativene 1366 1369 0.20 0.01 SH C15H24 204.19
8 33.15 α-Copaene 1373 1374 0.23 0.03 SH C15H24 204.19
9 34.38 β-Cubebene 1385 1387 0.48 0.11 SH C15H24 204.19
10 34.54 β-Elemene 1388 1389 0.19 0.01 SH C15H24 204.19
11 34.77 α-Cedrene 1413 1410 0.15 0.01 SH C15H24 204.19
12 35.83 β-Funebrene 1416 1413 0.41 0.01 SH C15H24 204.19
13 35.96 (E)-Caryophyllene 1417 1417 4.45 0.70 SH C15H24 204.19
14 36.26 β-Cedrene 1422 1419 0.16 0.02 SH C15H24 204.19
15 36.38 β-Gurjunene 1428 1431 0.22 0.01 SH C15H24 204.19
16 37.05 6,9-Guaiadiene 1439 1442 0.35 0.08 SH C15H24 204.19
17 37.25 (E)-Cinnamyl acetate 1444 1443 0.43 0.06 OC C11H12O2 176.08
18 37.43 Amorpha-4,11-diene 1447 1449 0.48 0.03 SH C15H24 204.19
19 37.47 α-Humulene 1454 1452 1.07 0.14 SH C15H24 204.19
20 37.59 α-Acoradiene 1458 1464 0.51 0.12 SH C15H24 204.19
21 37.74 Dauca-5,8-diene 1471 1471 0.64 0.08 SH C15H24 204.19
22 37.84 trans-Cadina-1(6),4-diene 1476 1475 2.42 0.62 SH C15H24 204.19
23 37.95 γ-Muurolene 1479 1478 0.82 0.12 SH C15H24 204.19
24 38.12 Germacrene D 1482 1480 8.86 1.09 SH C15H24 204.19
25 38.21 γ-Himachalene 1483 1481 1.83 0.13 SH C15H24 204.19
26 38.30 δ-Selinene 1486 1492 0.47 0.04 SH C15H24 204.19
27 38.45 trans-Muurola-4(14),5-diene 1491 1493 0.78 0.08 SH C15H24 204.19
28 38.69 α-Zingiberene 1495 1493 0.51 0.08 SH C15H24 204.19
29 38.79 epi-Cubebol 1496 1493 2.39 0.76 OS C15H26O 222.20
30 38.92 Bicyclogermacrene 1498 1500 0.70 0.13 SH C15H24 204.19
31 39.07 Epizonarene 1502 1501 0.44 0.02 SH C15H24 204.19
32 39.15 β-Bisabolene 1508 1505 2.87 0.80 SH C15H24 204.19
33 39.40 (Z)-γ-Bisabolene 1510 1506 0.33 0.08 SH C15H24 204.19
34 39.75 γ-Cadinene 1513 1513 0.32 0.04 SH C15H24 204.19
35 39.94 Cubebol 1517 1514 0.43 0.02 OS C15H26O 222.20
36 40.08 7-epi-α-Selinene 1518 1520 5.68 0.53 SH C15H24 204.19
37 40.20 β-Sesquiphellandrene 1525 1521 7.01 1.49 SH C15H24 204.19
38 40.39 <γ->Vetivenene 1533 1531 1.25 0.21 SH C15H22 202.17
39 40.83 trans-Cadina-1,4-diene 1541 1533 0.61 0.15 SH C15H24 204.19
40 41.00 β-Vetivenene 1548 1554 0.63 0.11 SH C15H22 202.17
41 41.16 Germacrene B 1559 1559 1.51 0.12 SH C15H24 204.19
42 41.90 E-Nerolidol 1563 1561 0.37 0.13 OS C15H26O 222.20
43 42.06 Spathulenol 1577 1577 0.54 0.04 OS C15H24O 220.18
44 42.78 Caryophyllene oxide 1585 1582 0.40 0.14 OS C15H24O 220.18
45 42.89 Globulol 1589 1590 0.11 0.01 OS C15H26O 222.20
46 43.00 Viridiflorol 1592 1592 1.09 0.11 OS C15H26O 222.20
47 43.14 Carotol 1595 1594 0.03 0.00 OS C15H26O 222.20
48 43.30 Guaiol 1599 1600 0.06 0.00 OS C15H26O 222.20
49 43.44 Geranyl 2-methyl butanoate 1602 1601 0.30 0.01 OS C15H26O2 238.19
50 43.54 1,10-di-epi-Cubenol 1614 1618 1.62 0.15 OS C15H26O 222.20
51 43.63 10-epi-γ-Eudesmol 1619 1622 0.46 0.04 OS C15H26O 222.20
52 43.75 1-epi-Cubenol 1627 1627 0.54 0.02 OS C15H26O 222.20
53 43.94 γ-Eudesmol 1628 1630 0.89 0.10 OS C15H26O 222.20
54 44.08 cis-Cadin-4-en-7-ol 1631 1632 2.00 0.45 OS C15H26O 222.20
55 44.14 β-Acorenol 1634 1635 0.43 0.01 OS C15H26O 222.20
56 44.26 epi-α-Cadinol 1637 1636 1.34 0.09 OS C15H26O 222.20
57 44.35 β-Acorenol 1638 1638 0.14 0.01 OS C15H26O 222.20
58 44.43 α-Muurolol (=Torreyol) 1643 1644 5.89 0.93 OS C15H26O 222.20
59 44.63 Cubenol 1649 1645 0.63 0.04 OS C15H26O 222.20
60 44.75 7-epi-α-Eudesmol 1663 1662 0.63 0.04 OS C15H26O 222.20
61 44.85 Bulnesol 1671 1670 0.51 0.20 OS C15H26O 222.20
62 44.98 Andro encecalinol 1674 1675 14.41 1.26 OC C14H16O2 216.11
63 45.11 Khusinol 1678 1679 0.53 0.09 OS C15H24O 220.18
64 45.20 α-Bisabolol 1692 1685 3.34 0.34 OS C15H26O 222.20
65 45.34 Cyperotundone 1696 1695 0.21 0.01 OS C15H22O 218.17
66 45.64 Amorpha-4,9-dien-2-ol 1701 1700 1.20 0.16 OS C15H24O 220.18
67 45.88 Amorpha-4,9-dien-14-al 1702 1704 7.68 0.70 OS C15H22O 218.17
68 57.08 n-Tetracosane 2401 2400 0.59 0.15 OC C24H50 309.03
Monoterpene hydrocarbons 0.51
Sesquiterpene hydrocarbons 49.22
Oxygenated sesquiterpene 33.76
Other compounds 16.00
Total identified 99.49

CN: compound number, assigned according to their elution order; RT retention time; RIC: calculated retention indices; RIR: literature retention indices; %: relative abundance; CF: chemical formula; MM: monoisotopic mass; SD: standard deviation; and Tr: traces.