Triptocallic acid B

Triptocallic acid B

Common Name: Triptocallic acid B

Synonyms: 3β-Hydroxymultiflor-7-en-29-oic acid

CAS Registry Number:

InChI: InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h8,19,21-23,31H,9-18H2,1-7H3,(H,32,33)/t19?,21?,22?,23-,26+,27+,28+,29+,30-/m0/s1

InChIKey: InChIKey=GQYYMZGTKQDPNR-CVJNMTJYSA-N

Formula: C30H48O3

Molecular Weight: 456.70032

Exact Mass: 456.360345

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: 1H, 13C - Nakano K., Oose Y., Masuda Y., Kamada H., Takaishi Y. (1997) A diterpenoid and triterpenes from tissue cultures of Tripterygium wilfordii. Phytochemistry 45, 293-296.

Species: Tripterygium wilfordii - Nakano K., Oose Y., Masuda Y., Kamada H., Takaishi Y. (1997) A diterpenoid and triterpenes from tissue cultures of Tripterygium wilfordii. Phytochemistry 45, 293-296

Notes: Poorly annotated spectral peaks.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 3.19 dd 8.79, 6.83
7 5.46 d
CH3 (position unknown) 0.75 s
CH3 (position unknown) 0.85 s
CH3 (position unknown) 0.95 s
CH3 (position unknown) 0.97 s
CH3 (position unknown) 0.99 s
CH3 (position unknown) 1.02 s
CH3 (position unknown) 1.21 s

Carbon NMR Peaks

Position PPM
1 37.6
2 27.6
3 79.3
4 39.2
5 50.7
6 24.5
7 117.6
8 145.7
9 48.3
10 35.5
11 17.5
12 33.3
13 37.3
14 42.5
15 30.9
16 37.3
17 31.6
18 45.8
19 30.9
20 40.6
21 29.5
22 36
23 27.8
24 15
25 13.4
26 25.2
27 27.8
28 31.5
29 182.8
30 33.5