Triptocallic acid D

Triptocallic acid D

Common Name: Triptocallic acid D

Synonyms: 3 alpha, 22 alpha-dihydroxyolean-12-en-29-oic acid

CAS Registry Number:

InChI: InChI=1S/C30H48O4/c1-25(2)18-11-13-30(7)28(5,19(18)8-9-22(25)31)12-10-20-21-16-26(3,24(33)34)17-23(32)27(21,4)14-15-29(20,30)6/h10,18-19,21-23,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/t18?,19?,21?,22-,23+,26+,27-,28+,29+,30-/m1/s1

InChIKey: InChIKey=XVUXYBWTQKDTCR-ZMZPJCKPSA-N

Formula: C30H48O4

Molecular Weight: 472.69972

Exact Mass: 472.35526

NMR Solvent: CD3OD

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

Calibration: TMS

NMR references: Nakano, K., Oose, Y., Masuda, Y., Kamada, H., Takaishi, Y. (1997) A novel epoxy-triterpene and nortriterpene from callus cultures of Tripterygium wilfordii. Phytochemistry 46, 1179-1182.

Species: Tripterygium wilfordii var. regelii - Nakano, K., Oose, Y., Masuda, Y., Kamada, H., Takaishi, Y. (1997) A novel epoxy-triterpene and nortriterpene from callus cultures of Tripterygium wilfordii. Phytochemistry 46, 1179-1182.

Notes: Poorly annotated signals.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
CH3 (position unknown) 0.85 s
CH3 (position unknown) 0.95 s
CH3 (position unknown) 0.97 s
CH3 (position unknown) 0.98 s
CH3 (position unknown) 0.99 s
CH3 (position unknown) 1.2 s
CH3 (position unknown) 1.2 s
position unknown (1H) 3.38 s
position unknown (1H) 3.5 dd 4.4, 12.21
position unknown (1H) 5.24 br s

Carbon NMR Peaks

Position PPM
1 33.8
2 26.4
3 76.3
4 37.9
5 49.3
6 18.9
7 33.3
8 40.8
9 48.1
10 39
11 24.1
12 123.2
13 144.2
14 43
15 25.8
16 20
17 37.7
18 47.7
19 38.2
20 44.2
21 41.8
22 76.5
23 28.7
24 22.8
25 15.7
26 17.3
27 26.3
28 25.1
29 186.3
30 21.5