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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H22O4/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/h4-5,10,15,22H,6-9H2,1-3H3/t15-,20+/m0/s1

InChIKey: InChIKey=MHZZHUMKOAYLPH-MGPUTAFESA-N

Formula: C20H20O4

Molecular Weight: 324.3704

Exact Mass: 324.136159

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 1.79 ddd 12.4, 12.4, 5.9
1b 2.51 dd 12.4, 6
2a 2.57 m
2b 2.4 m
5 3.16 m
6a 2.77 d 7.1
6b 2.78 d 11.7
11 6.86 d 7.9
12 7.4 d 7.9
14-OH 13.3 s
15 3.33 sept 7
16 1.21 d 7
17 1.23 d 7
19 4.75 ABq 17.1
20 1.12 s

Carbon NMR Peaks

Position PPM
17.8
21.7
22.1
22.2
26.2
31.7
36.4
36.5
40.4
69.9
113.6
114.7
126.1
133.7
136.1
149.1
159.6
161.8
173.3
202.3