triptogelin A-11

triptogelin A-11

Common Name: triptogelin A-11

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H42O11/c1-23-22-29(48-35(43)26-16-10-7-11-17-26)32(49-36(44)27-18-12-8-13-19-27)39(6)34(50-37(45)28-20-14-9-15-21-28)31(46-24(2)41)30-33(47-25(3)42)40(23,39)51-38(30,4)5/h7-21,23,29-34H,22H2,1-6H3/t23-,29+,30-,31-,32+,33-,34-,39+,40-/m1/s1

InChIKey: InChIKey=UCVHTYVPYMCRGV-NLKYLYHQSA-N

Formula: C40H42O11

Molecular Weight: 698.75488

Exact Mass: 698.272712

NMR Solvent: CDCl3 and pyridine-d5

MHz: 400 (1H); 100 (13C)

Calibration: TMS

NMR references: Takaishi, Y., Tokura, K., Tamai, S., Ujita, K., Nakano, K., Tomimatsu, T. (1991) Sesquiterpene polyol esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 1567-1572

Species: Tripterygium wilfordii Hook fil var. regelii Makino - organ/tissue: achenes - Takaishi, Y., Tokura, K., Tamai, S., Ujita, K., Nakano, K., Tomimatsu, T. (1991) Sesquiterpene polyol esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 1567-1572)

Notes: poorly annotated spectral peaks

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 5.77 s
2 5.77 s
3 1.97 d 15
3 2.5 m
4 2.4 sext 7.6
6 6.1 s
7 2.57 d 3.9
8 5.58 dd 5.4, 3.9
9 5.63 d 5.4
12 1.62 s
13 1.47 s
14 1.38 d 7.6
15 1.95 s
1-OBenzoyl (position unknown) 6.84
1-OBenzoyl (position unknown) 7.12
1-OBenzoyl (position unknown) 7.5
2-OBenzoyl (position unknown) 7.48
2-OBenzoyl (position unknown) 7.69
2-OBenzoyl (position unknown) 7.99
6-OAc (methyl group) 2.13
8-OAc (methyl group) 2.08
9-OBenzoyl (position unknown) 7.05
9-OBenzoyl (position unknown) 7.27
9-OBenzoyl (position unknown) 7.48

Carbon NMR Peaks

Position PPM
1 76.5
2 71
3 31.4
4 33.5
5 90.9
6 74.7
7 52.7
8 71.4
9 75
10 49.1
11 82
12 24.1
13 30.7
14 18.5
15 14.2
Carbonyl group (position unknown) 164.7
Carbonyl group (position unknown) 165.1
Carbonyl group (position unknown) 165.7
Carbonyl group (position unknown) 169.4
Carbonyl group (position unknown) 169.6