Regeol C

Regeol C

Common Name: Regeol C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H38O6/c1-15-19-16(13-17(30)20(15)31)27(4)10-12-28(5)18-14-26(3,24(34)35)8-7-25(18,2)9-11-29(28,6)23(27)22(33)21(19)32/h13,18,30-31,33H,7-12,14H2,1-6H3,(H,34,35)/t18?,25-,26-,27+,28+,29-/m1/s1

InChIKey: InChIKey=GXMSTEJLJKABOD-FEXSJWJWSA-N

Formula: C29H38O6

Molecular Weight: 482.60842

Exact Mass: 482.266839

NMR Solvent: C5D5N

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

Calibration: TMS

NMR references: Takaishi, Y., Wariishi, N., Tateish, H., Kawazoe, K., Nakano, K., Ono, Y., Tokuda, H., Nishino, H., Iwashima, A. (1997) Triterpenoid Inhibitors of interleukin-1 secretion and tumor-promotion from Tripterygium wilfordii var regelii. Phytoschemistry 45, 969-974.

Species: Tripterygium wilfordii var. regelii - Takaishi, Y., Wariishi, N., Tateish, H., Kawazoe, K., Nakano, K., Ono, Y., Tokuda, H., Nishino, H., Iwashima, A. (1997) Triterpenoid Inhibitors of interleukin-1 secretion and tumor-promotion from Tripterygium wilfordii var regelii. Phytoschemistry 45, 969-974.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 7.25 s
15 3.22 ddd 14.2, 3.9, 1.2
23 3.18 s
24 1.59 s
25 1.42 s
26 1.12 s
27 1.26 s
29 1.49 s

Carbon NMR Peaks

Position PPM
1 109.3
2 152.2
3 144.1
4 127.9
5 119.5
6 182.1
7 146.9
8 138.1
9 40
10 151.7
11 33.5
12 29.8
13 39.4
14 46.4
15 29.4
16 37.2
17 30.5
18 44.4
19 31.4
20 40.7
21 30.4
22 36
23 14.8
25 41.3
26 20.5
27 19.9
28 31.9
29 181.2
30 32.8