2a,7b,10a-Triacetoxy-5a-hydroxy-2(3→20)-abeo-taxa-4(20),11-dien-9,13-dione

2a,7b,10a-Triacetoxy-5a-hydroxy-2(3→20)-abeo-taxa-4(20),11-dien-9,13-dione

Common Name: 2a,7b,10a-Triacetoxy-5a-hydroxy-2(3→20)-abeo-taxa-4(20),11-dien-9,13-dione

Synonyms: 2a,7b,10a-Triacetoxy-5a-hydroxy-2(3→20)-abeo-taxa-4(20),11-dien-9,13-dione (¼(2S,4S,5S,7S,8E,10S,11R)-7-Hydroxy-4,14,15,15-tetramethyl-3,13-dioxotricyclo[9.3.1.14,8]hexadeca-1(14),8-diene-2,5,10-triyl Triacetate

CAS Registry Number:

InChI: InChI=1S/C26H34O9/c1-12-18(30)9-17-20(33-13(2)27)8-16-11-26(7,21(10-19(16)31)34-14(3)28)24(32)23(35-15(4)29)22(12)25(17,5)6/h8,17,19-21,23,31H,9-11H2,1-7H3/b16-8+/t17?,19-,20?,21?,23?,26-/m0/s1

InChIKey: VQXRLQKQCXVKGB-ZPAWROJISA-N

Formula: C26H34O9

Molecular Weight: 513.21

Exact Mass: 513.2104

NMR Solvent: (D6)acetone, CDCl3

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

Calibration: TMS

NMR references: Luh, L. J.

Abd El-Razek, M. H.

Liaw, C. C.

Arthur Chen, C. T.

Lin, Y. S.

Kuo, Y. H.

Chien, C. T.

Shen, Y. C. Helv. Chim. Acta 2009, 92, 1349.

Species: needles and stems of T. sumatrana

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.9 m
2 5.85 d 9
3a 1.94 d 16
3b 2.72 d 16
5 4.28 m
6a 1.43 d 14.5
6b 2.35 m
7 5.34 d 10
10 5.69 br.s
14a 2.47 d 16
14b 2.75 m
16 1.18 s
17 1.18 s
18 1.7 s
19 1.21 s
20a 5.56 d 10
2-OAc 2.05 s
7-OAc 2.15 s
10-OAc 2.1 s

Carbon NMR Peaks

Position PPM
1 47.1
2 70.7
3 32.1
4 139.4
5 66.6
6a 37.7
7 67.8
8 52.7
9 209.8
10 72
11 145.9
12 136.8
13 199.7
14a 36
15 36.5
16 21.7
17 32.5
18 19
19 24.1
20a 121.3