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.
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 |