Triptocallic acid A

Triptocallic acid A

Common Name: Triptocallic acid A

Synonyms: 3α,22α-Dihydroxy-urs-12-en-30-oic acid

CAS Registry Number: 190906-61-7

InChI: InChI=1S/C30H48O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21?,22+,23-,24?,27-,28-,29+,30+/m0/s1

InChIKey: InChIKey=IWVWTVWLRSUYNC-DLMYTDLUSA-N

Formula: C30H48O4

Molecular Weight: 472.69972

Exact Mass: 472.35526

NMR Solvent: C5D5N

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: Poor annotation of spectral peaks.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 3.63 s
12 5.31 d
22 3.74 dd 4.88, 10.74
CH3 (position unknown) 0.93 s
CH3 (position unknown) 1.02 s
CH3 (position unknown) 1.11 s
CH3 (position unknown) 1.18 s
CH3 (position unknown) 1.24 s
CH3 (position unknown) 1.33 s
CH3 (position unknown) 1.17 d 4.88

Carbon NMR Peaks

Position PPM
33.9
26.4
75.2
37.9
18.4
33.1
40.6
47.8
37.3
23.4
125.6
139.2
43
26.5
21.4
39.7
58.2
34.9
51.2
34.9
77.2
29.3
22.8
15.8
17.1
23.6
25.3
19
178.3