Triptocalline A

Triptocalline A

Common Name: Triptocalline A

Synonyms: 24,29-Dinor D:A-friedoolean-4-en-2beta,22beta-dihydroxy-3,21-dione

CAS Registry Number:

InChI: InChI=1S/C28H42O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h15,18-21,24,29,32H,7-14H2,1-6H3/t15-,18?,19?,20?,21?,24?,25+,26-,27-,28+/m1/s1

InChIKey: InChIKey=UUGCGHAFZPEHIC-FNRWPQQUSA-N

Formula: C28H42O4

Molecular Weight: 442.63068

Exact Mass: 442.30831

NMR Solvent: CDCl3

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) 0.82 s
CH3 (position unknown) 0.84 s
CH3 (position unknown) 0.98 s
CH3 (position unknown) 1.37 s
CH3 (position unknown) 1.85 s
position unknown (3H) 1.06 d 6.27
position unknown (1H) 2.74 m 6.35
position unknown (1H) 2.95 dd 4.19, 16.35
position unknown (1H) 4.03 dd 5.73, 13.9
position unknown (1H) 4.59 s

Carbon NMR Peaks

Position PPM
1 28.7
2 71.5
3 200.1
4 127.7
5 159.2
6 30.9
7 20.8
8 47.7
9 37.6
10 52.3
11 33.1
12 29.5
13 39.5
14 40
15 28.1
16 29.7
17 44.9
18 45.3
19 31.7
20 41.3
21 214
22 77.2
23 11.2
25 15.6
26 19.1
27 17.5
28 25.2
30 14.8