Taxchinin M

Taxchinin M

Common Name: Taxchinin M

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H44O13/c1-17-23(44-18(2)36)15-34(32(6,7)42)26(17)27(40)29(47-31(41)22-12-10-9-11-13-22)33(8)24(45-19(3)37)14-25-35(16-43-25,48-21(5)39)28(33)30(34)46-20(4)38/h9-13,23-25,27-30,40,42H,14-16H2,1-8H3/t23?,24?,25-,27-,28+,29?,30?,33-,34+,35?/m1/s1

InChIKey: JHNLDSGPFLFXKC-KSMKWJQDSA-N

Formula: C35H44O13

Molecular Weight: 672.2828

Exact Mass: 672.2789

NMR Solvent: CHCl3

MHz: 500 (1H); 125 (13C)

Calibration: TMS

NMR references: Kiyoshi Tanaka, Kaoru Fuji, Toshio Yokoi, Tetsuro Shingu, Bo Li, Handong Sun. Structures of Taxchinins L and M, Two New Diterpenoids from Taxus chinensis var. Mairei. Chemical and Pharmaceutical Bulletin, 1996, Volume 44, Issue 9, Pages 1770-1774. Rao, K. V.

Johnson, J. H. Phytochemistry 1998, 49, 1361.

Species: Taxus chinensis var. Marei- collected Septmeber 1990 at Yunnan, China

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 6.32 d 7.5
3 3.2 d 7.6
5 5.02 t 8.6
6α 2.42 ddd 16, 9, 4
6β 2.06
7 5.28 dd 13.2, 4.2
9 5.26 d 4.6
10 4.93 d 4.5
13 5.57 t 6.8
14α 1.71 dd 15.1, 6.7
14β 2.45 dd 15.2, 6.9
16 0.98 s
17 1.3 s
18 1.22 s
19 1.79 s
20a 4.71 d 7.8
20b 4.49 d 7.8
2-AcO 2.19 s
4-AcO 2.22 s
7-AcO 1.91 s
13-AcO 2.14 s
9-BzO (2,6) 8.12 d-like
9-BzO (3,5) 7.46 t-like
9-BzO (4) 7.57 m

Carbon NMR Peaks

Position PPM
1 65.5
2 71
3 42.6
4 82.4
5 84.2
6 30.9
7 70
8 44.4
9 75.2
10 67.9
11 137.8
12 140.7
13 80.9
14 36.2
15 75.3
16 30.4
17 28
18 13.3
19 13.9
20 78.3