3,4,6-Trihydroxy-2-oxo-23,24-nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid

3,4,6-Trihydroxy-2-oxo-23,24-nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid

Common Name: 3,4,6-Trihydroxy-2-oxo-23,24-nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid

Synonyms: 3,4,6-Trihydroxy-2-oxo-23,24-nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid

CAS Registry Number:

InChI: InChI=1S/C28H36O6/c1-24-6-7-25(2,23(33)34)14-19(24)28(5)11-9-26(3)15-12-17(30)21(31)22(32)20(15)16(29)13-18(26)27(28,4)10-8-24/h12-13,19,29,31-32H,6-11,14H2,1-5H3,(H,33,34)/t19?,24-,25-,26+,27-,28+/m1/s1

InChIKey: InChIKey=BDBMWOXJSYMJMF-TWQRTPDCSA-N

Formula: C28H36O6

Molecular Weight: 468.58184

Exact Mass: 468.251189

NMR Solvent: CD3OD

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

Calibration: TMS

NMR references: Zhou, L., Du, J., Wu, C. (2010) A new triterpenoid from the roots of Tripterygium wilfordii. Chinese Chem. Lett. 21, 600-602.

Species: Tripterygium wilfordii - Zhou, L., Du, J., Wu, C. (2010) A new triterpenoid from the roots of Tripterygium wilfordii. Chinese Chem. Lett. 21, 600-602.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 6.51 s
7 6.23 s
11 (stereochemistry unknown) 2.28 m
11 (stereochemistry unknown) 1.94
12 (stereochemistry unknown) 2.13 m
12 (stereochemistry unknown) 1.45
15 (stereochemistry unknown) 1.77 m
15 (stereochemistry unknown) 1.59
16 (stereochemistry unknown) 2.48 m
16 (stereochemistry unknown) 1.7
18 (stereochemistry unknown) 1.68 m
19 (stereochemistry unknown) 2.18 m
19 (stereochemistry unknown) 1.43
21 (stereochemistry unknown) 1.98 m
21 (stereochemistry unknown) 1.52
22 (stereochemistry unknown) 2.13 m
22 (stereochemistry unknown) 0.97
25 1.56 s
26 1.41 s
27 0.78
28 1.19 s
30 1.14 s

Carbon NMR Peaks

Position PPM
1 104.9
2 190.6
3 153.6
4 151.1
5 109.3
6 179.7
7 124.2
8 151.5
9 41.3
10 131.2
11 34.9
12 30.7
13 40.8
14 46.5
15 30.1
16 31.6
17 32
18 45.7
19 30.9
20 41.3
21 37.6
22 36
25 38.4
26 21.5
27 19.4
28 33.2
29 182.6
30 31.9