7beta,14,19-Trihydroxy-18(4 -> 3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone

7beta,14,19-Trihydroxy-18(4 -> 3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone

Common Name: 7beta,14,19-Trihydroxy-18(4 -> 3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H24O4/c1-10(2)11-4-5-14-17(18(11)22)16(21)8-15-13-9-24-19(23)12(13)6-7-20(14,15)3/h4-5,10,15-16,21-22H,6-9H2,1-3H3/t15-,16-,20+/m0/s1

InChIKey: InChIKey=KGCDYKSFCAAZLR-TWOQFEAHSA-N

Formula: C20H24O4

Molecular Weight: 328.40216

Exact Mass: 328.167459

NMR Solvent: CDCl3

MHz: 400 (1H), 50 (13C)

Calibration: TMS

NMR references: 1H - Kutney J.P. and Han K. (1996) Studies with plant-cell cultures of the Chinese herbal plant, Tripterygium wilfordii. Recl. Trav. Chim. Pays-Bas 115, 77-93.

Species: Tripterygium wilfordii - Kutney J.P. and Han K. (1996) Studies with plant-cell cultures of the Chinese herbal plant, Tripterygium wilfordii. Recl. Trav. Chim. Pays-Bas 115, 77-93;

Notes: 13C signals not annotated.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.64 ddd 12.6, 12.6, 6.6
1b 2.44 m
2a 2.44 m
2b 2.33 m
5 2.76 d 13.8
6a 2.33 m
6b 1.99 ddd 13.9, 12.7, 10
7a 5.22 ddd 10, 7.8, 7.8
7b-OH 3.14 d 7.8
11 6.85 d 8.2
12 7.13 d 8.2
14-OH 8.22 s
15 3.28 sept 6.9
16 1.2 d 6.9
17 1.22 d 6.9
19 4.75 ABq 17.2
20 1.08 s

Carbon NMR Peaks

Position PPM
18
22.4
22.6
23.1
26.5
30.4
32.6
36.5
40.4
69
70.4
115.5
121
125.6
126.1
134
143.3
154.3
161.8
174.2