Regeol A

Regeol A

Common Name: Regeol A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h14-15,20-21,24,29,31-32H,7-13H2,1-6H3/t15-,20?,21?,24-,25+,26-,27-,28+/m1/s1

InChIKey: InChIKey=FKARAOWYAAUAFW-QYDUKIQGSA-N

Formula: C28H40O4

Molecular Weight: 440.6148

Exact Mass: 440.29266

NMR Solvent: CDCl3

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 6.65 s
19 2.23 dd 14.7, 7.1
22 4.55 d 3.4
23 2.01 s
24 1.2 s
25 0.98 s
26 1.2 s
27 0.85 s
28 1.05 d 5.9

Carbon NMR Peaks

Position PPM
1 108.3
2 141.4
3 139.8
4 122.5
5 126.3
6 28
7 18.3
8 43.3
9 36.7
10 143.8
11 34.2
12 30
13 40
14 39.3
15 27.9
16 39.6
17 44.9
18 45.4
19 31.7
20 41.3
21 214.2
22 77.6
23 11.5
25 28.2
26 15.3
27 19.2
28 25.2
30 14.8