Regeol B

Regeol B

Common Name: Regeol B

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H44O5/c1-16-22-17(13-19(31)23(16)32)27(4)10-12-29(6)21-15-26(3,24(33)34)8-7-25(21,2)9-11-28(29,5)20(27)14-18(22)30/h17-21,30-31H,7-15H2,1-6H3,(H,33,34)/t17?,18-,19-,20?,21?,25-,26-,27+,28-,29+/m1/s1

InChIKey: InChIKey=BDJSFPZAYZYESM-MYBSLRQXSA-N

Formula: C29H44O5

Molecular Weight: 472.65666

Exact Mass: 472.318878

NMR Solvent: C5D5N

MHz: 400.0

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. Phytochemistry 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. Phytochemistry 45, 969-974.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 2.14 m
2 2.29 m
Position unknown 4.65 dd 9.3, 4.9
6 4.73 dd 10.3, 5.4
7 (stereochemistry unknown) 1.96 m
7 (stereochemistry unknown) 2.26 m
8 1.72 m
12 2.54 d 13.2
19 2.68 d 15.1
23 2.76 s
25 0.87 s
26 1.23 s
27 1.11 s
29 1.44 s

Carbon NMR Peaks

Position PPM
1 29.5
2 70.1
3 201
4 128
5 158.7
6 75.6
7 34.4
8 47.5
9 40.4
10 49.6
11 33.7
12 30.1
13 39.6
14 40.7
15 29.5
16 36.5
17 30.5
18 44.7
19 31
20 39.7
21 30.5
22 37.4
23 12.6
25 17.3
26 16.6
27 17.5
28 32.1
29 181
30 32.3