14β-Acetoxy-(7,8)β, (9,11)β, (12,13)α-tris(epoxy)-2β, 19-Dihydroxy-18(4->3)abeo-abieta-3-en-18-oic acid lactone

14β-Acetoxy-(7,8)β, (9,11)β, (12,13)α-tris(epoxy)-2β, 19-Dihydroxy-18(4->3)abeo-abieta-3-en-18-oic acid lactone

Common Name: 14β-Acetoxy-(7,8)β, (9,11)β, (12,13)α-tris(epoxy)-2β, 19-Dihydroxy-18(4->3)abeo-abieta-3-en-18-oic acid lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H26O8/c1-8(2)20-15(29-20)16-22(30-16)19(4)6-12(24)14-10(7-26-17(14)25)11(19)5-13-21(22,28-13)18(20)27-9(3)23/h8,11-13,15-16,18,24H,5-7H2,1-4H3/t11-,12-,13-,15-,16-,18+,19-,20-,21+,22+/m0/s1

InChIKey: InChIKey=QBFQFQQPYOYPGA-UJASBEQZSA-N

Formula: C22H26O8

Molecular Weight: 418.43704

Exact Mass: 418.162768

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: No 13C data provided.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.43 dd 14.1, 5.8
1b 1.862 d 14.1
2a 4.59 d 5.8
5 2.6 dd 13, 5.8
6a 2.2 ddd 14.7, 5.8, 5.6
6b 2 dd 14.7, 13
7a 3.44 d 5.6
11a 3.83 d 3.1
12b 3.51 d 3.1
14a 5.06 s
14b-OAc 2.15 s
15 1.86 sept 7
16 0.82 d 7
17 0.94 d 7
19 4.74 s
20 1.24 s