(7,8)β, (9,11)β-Bis(epoxy)-2β, 19-dihydroxy-14-oxo-18(4->3)abeo-abieta-3,12-dien-18-oic acid lactone

(7,8)β, (9,11)β-Bis(epoxy)-2β, 19-dihydroxy-14-oxo-18(4->3)abeo-abieta-3,12-dien-18-oic acid lactone

Common Name: (7,8)β, (9,11)β-Bis(epoxy)-2β, 19-dihydroxy-14-oxo-18(4->3)abeo-abieta-3,12-dien-18-oic acid lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H22O6/c1-8(2)9-4-14-20(26-14)18(3)6-12(21)15-10(7-24-17(15)23)11(18)5-13-19(20,25-13)16(9)22/h4,8,11-14,21H,5-7H2,1-3H3/t11-,12-,13-,14-,18-,19+,20+/m0/s1

InChIKey: InChIKey=OMNYYTZIOMAACW-VZVHXYPGSA-N

Formula: C20H22O6

Molecular Weight: 358.38508

Exact Mass: 358.141638

NMR Solvent: CDCl3

MHz: 400 (1H), 125 (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:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.52 dd 13.9, 5.9
1b 1.97 dd 13.9
2a 4.63 dd 5.9
2b-OH 2.35 s
5 2.66 dd 13.1, 5.7
6a 2.24 ddd 14.6, 5.7, 5.3
6b 2.13 dd 14.6, 13.1
7a 3.59 d 5.3
11a 3.82 d 4.8
12 6.91 dd 4.8, 1
15 2.83 sept d 6.8, 1
16 0.99 d 6.8
17 1.05 d 6.8
19 4.76 m
20 1.3 s

Carbon NMR Peaks

Position PPM
1 38.6
2 59.43
3 127.2
4 161.5
5 41.3
6 23.1
7 61.9
8 59.38
9 63.9
10 35.1
11 52.2
12 136.5
13 150.3
14 190.1
15 27.1
16 21.3
17 21.5
18 172.6
19 70.1
20 15.4