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
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 |
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 |