Taxchinin H

Taxchinin H

Common Name: Taxchinin H

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H46O10/c1-23-29-21-40(38(5,6)46)22-30(43)24(2)34(40)35(50-37(45)28-16-12-9-13-17-28)36(48-26(4)42)39(29,7)32(47-25(3)41)20-31(23)49-33(44)19-18-27-14-10-8-11-15-27/h8-19,29-32,35-36,43,46H,1,20-22H2,2-7H3/b19-18+/t29-,30+,31+,32?,35?,36?,39+,40+/m1/s1

InChIKey: QKGOWVZVLXIPIY-CSABMHSZSA-N

Formula: C40H46O10

Molecular Weight: 686.3091

Exact Mass: 686.3134

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: Kaoru Fuji, Kiyoshi Tanaka, Bo Li, Tetsuro Shingu, Toshio Yokoi, Hangdong Sun, Tooru Taga. Structures of nine new diterpenoids from Taxus chinensis. Tetrahedron, Volume 51, Issue 37, 1995, Pages 10175-10188. ISSN 0040-4020. https://doi.org/10.1016/0040-4020(95)00607-A.

Species: Taxus chinensis leaves and stems

Notes: The proton NMR for position 4 does not have identifiable signal due to overlap with other signals

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2α 1.48 brd 14.1
2β 2.42 dd 14.1, 8.9
3 2.87 dd 8.9
5 5.54 dd 2.1, 3.9
6α 2.08 ddd 15, 5.4, 2.1
6β 1.95 ddd 15, 11.2, 3.9
7 5.67 dd 11.2, 5.4
9 6.05 brd 10.5
10 6.68 d 10.5
13 4.49 t 7.1
14α 1.22 dd 14, 7.2
14β 2.41 dd 14, 7.2
16 1.32 s
17 1.02 s
18 2.16 brs
19 0.94 s
20α 4.93 brs
20β 5.33 s
7-AcO 2.07 s
9-AcO 1.76 s
5-CiO (α) 6.5 d 16
5-CiO (β) 7.67 d 16
5-CiO (2,6) 7.55 m
5-CiO (3,5) 7.37 m
5-CiO (4) 7.37 m
10-BzO (2,6) 7.88 dd 1.2, 7.8
10-BzO (3,5) 7.43 brt 7.5
10-BzO (4) 7.43 brt 7.5

Carbon NMR Peaks

Position PPM
1 63.1
2 29.3
3 39.1
4 145.6
5 74.2
6 34
7 69.8
8 44.9
9 77.3
10 70.8
11 134.2
12 151.2
13 77
14 47.5
15 75.6
16 24.8
17 27.1
18 11.9
19 13
20 114.2