Common Name: Abieta-8,11,13-triene
Synonyms: Dehydroabietadiene; 7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene; Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-; Abieta-8(14),9(11),12-triene;
CAS Registry Number:
InChI: InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1
InChIKey: InChIKey=QUUCYKKMFLJLFS-AZUAARDMSA-N
Formula: C20H30
Molecular Weight: 270.4522
Exact Mass: 270.234751
NMR Solvent: CDCl3
MHz: 500 (1H), 125 (13C)
Calibration:
NMR references:
Species: Tripterygium regelii (stem bark) - Lee B.W., Seo W.D., Gal S.W., Yang M.S., and Park K.H. (2004) Quinone methide triterpenes from Tripterygium regelii. Agric. Chem. Biotechnol. 47, 77-80;
Notes: 1H-NMR signal assignments based on various 2D-NMR experiments
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
27 | 0.53 | s | |
22a | 0.97 | m | |
28 | 1.1 | s | |
29 | 1.17 | s | |
26 | 1.24 | s | |
21a | 1.37 | m | |
25 | 1.45 | s | |
16a | 1.48 | m | |
15a | 1.53 | m | |
18 | 1.58 | m | |
15b | 1.64 | m | |
12a | 1.67 | m | |
19a | 1.69 | m | |
12b | 1.78 | m | |
11a | 1.82 | m | |
16b | 1.86 | m | |
22b | 2.05 | ddd | 10, 10, 4 |
11b | 2.17 | m | |
23 | 2.2 | s | |
21b | 2.21 | m | |
19b | 2.43 | d | 15.8 |
OCH3 | 3.55 | s | |
7 | 6.34 | d | 7.2 |
1 | 6.52 | s | |
6 | 7.01 | d | 7.1 |
Position | PPM |
---|---|
1 | 120 |
2 | 179 |
3 | 146 |
4 | 118 |
5 | 127 |
6 | 134 |
7 | 119 |
8 | 170 |
9 | 43 |
10 | 165 |
11 | 34 |
12 | 30 |
13 | 40 |
14 | 45 |
15 | 29 |
16 | 37 |
17 | 31 |
18 | 45 |
19 | 31 |
20 | 45 |
21 | 31 |
22 | 41 |
23 | 11 |
25 | 39 |
26 | 22 |
27 | 19 |
28 | 32 |
29 | 33 |
30 | 179 |
OCH3 | 52 |