Triptogelin C-4

Triptogelin C-4

Common Name: Triptogelin C-4

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H35NO8/c1-17-14-22(33)25(36-18(2)32)29(5)23(37-26(34)19-10-7-6-8-11-19)15-21-24(30(17,29)39-28(21,3)4)38-27(35)20-12-9-13-31-16-20/h6-13,16-17,21-25,33H,14-15H2,1-5H3/t17-,21-,22+,23-,24-,25+,29-,30-/m1/s1

InChIKey: InChIKey=MHALQTIOHVPSSL-JYVZTSMFSA-N

Formula: C30H35N1O8

Molecular Weight: 537.6008

Exact Mass: 537.236267

NMR Solvent: CDCl3

MHz: 400(1H); no 13C data.

Calibration: TMS

NMR references: Takaishi, Y., Tamai, S., Nakano, K., Murakami, K., Tomimatsu, T. (1991) Structures of sesquiterpene polyol Esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 3027-3031.

Species: Tripterygium wilfordii var. regelii - Takaishi, Y., Tamai, S., Nakano, K., Murakami, K., Tomimatsu, T. (1991) Structures of sesquiterpene polyol Esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 3027-3031.

Notes: Poorly annotated signals.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
position unknown 1.32 s
position unknown 1.45 s
position unknown 1.6 s
1-OAcetyl (CH3) 1.73 s
position unknown 1.93 d 13.2
position unknown 2.23 dd 16.6, 3.9
position unknown 2.41 m
position unknown 2.5 m 6.8
position unknown 2.56 ddd 16.6, 6.8, 3.4
6 4.48 dd 3.4, 2.9
position unknown 5.05 d 6.8
position unknown 5.57 d 3.4
8 5.63 s
6-OBenzoyl (position unknown) 7.36 m
6-OBenzoyl (position unknown) 7.57 t 8.5
6-OBenzoyl (position unknown) 8.07 d 8.5
9-ONicotinoyl (position unknown) 7.36 m
9-ONicotinoyl (position unknown) 8.32 dt 7.9, 1.5
9-ONicotinoyl (position unknown) 8.83 dd 7.9, 1.5
9-ONicotinoyl (position unknown) 9.26 t 1.5