Taxchin A

Taxchin A

Common Name: Taxchin A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H46O13/c1-14-23(41-16(3)34)11-22-28(39)27-21(13-40-15(2)33)24(42-17(4)35)12-25(43-18(5)36)32(27,10)30(45-20(7)38)29(44-19(6)37)26(14)31(22,8)9/h21-25,27-30,39H,11-13H2,1-10H3/t21-,22+,23?,24?,25?,27+,28-,29?,30?,32-/m1/s1

InChIKey: LXSXHYVFNXASJF-BXJNKTQOSA-N

Formula: C32H46O14

Molecular Weight: 654.6974

Exact Mass: 654.3255

NMR Solvent: CHCl3

MHz: 400 (1H); 100 (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: 2-OH group disappeared with D2O

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.9 m
2 4.24 brs
3 2.63 m
4 2.23 m
5 5 brd 2.1
6α 1.9 m
6β 1.9 m
7 5.39 dd 4.9, 11.5
9 5.78 d 11
10 6.16 dd 11
13 5.95 t 8.2
14α 1.47 dd 7.7, 15
14β 2.63 m
16 1.68 s
17 1.16 s
18 2.21 d 1.5
19 0.96 s
20α 3.93 dd 8.8, 10.4
20β 4.53 d 10.4
2-OH 1.37 d 4.4
5-AcO 1.68 s
7-AcO 1.97 s
9-AcO 2.03 s
10-AcO 2.05 s
13-AcO 2.12 s
20-AcO 2.23 s

Carbon NMR Peaks

Position PPM
1 52.1
2 68.6
3 4.6
4 42
5 70.8
6 29.8
7 69.9
8 45.7
9 75.9
10 71.9
11 133.7
12 138
13 70.8
14 27.7
15 38
16 27.4
17 31.9
18 15
19 14.3
20 66.8