Tasumatrol L

Tasumatrol L

Common Name: Tasumatrol L

Synonyms:

CAS Registry Number: 847835-17-0

InChI: InChI=1S/C36H44O15/c1-17-24(42)13-25(48-18(2)38)35(16-46-32(44)22-11-9-8-10-12-22)26(17)28(49-19(3)39)27-23(14-37)29(43)34(7)36(45,33(27,6)15-47-34)31(51-21(5)41)30(35)50-20(4)40/h8-12,23-28,30-31,37,42,45H,1,13-16H2,2-7H3/t23-,24+,25?,26+,27?,28+,30+,31+,33+,34-,35?,36+/m1/s1

InChIKey: InChIKey=ZFXSJZPTCKIFHG-DMUMPCCMSA-N

Formula: C36H44O15

Molecular Weight: 716.73

Exact Mass: 716.268

NMR Solvent: CDCl3

MHz: 500.0

Calibration: TMS

NMR references: Shen, Y.-C., Lin, Y.-S., Cheng, Y.-B., Cheng, K.-C., Khalil, A.T., Kuo, Y.-H., Chien, C.-T., and Lin, Y.-C. (2005). Novel taxane diterpenes from Taxus sumatrana with the first C-21 taxane ester. Tetrahedron 61, 1345–1352.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 2.43 s
2 6.21 d 9.9
3 3.77 br s
5 4.47 br s
6α 2.18 m
6β 1.72 m
7 5.49 m
9 5.42 br s
10 5.32 s
14 3.01 br s
16 3.63 d 8.1
16 4 d 8.1
17 1.28 s
18 1.16 s
19 5.1 d 12.3
19 4.38 d 12.3
20 5.41 s
20 4.69 s
21 3.79 br d 8
OCOPh o- 8.16 d 7.2
OCOPh m- 7.52 t 7.2
OCOPh p- 7.61 t 7.2
Ac-2 2.05 s
Ac-7 2.16 s
Ac-9 2.03 s
Ac-10 2.11 s

Carbon NMR Peaks

Position PPM
1 50.5
2 70.6
3 39.4
4 145
5 72.7
6 39
7 69.1
8 49.4
9 70
10 64.4
11 80.3
12 90.8
13 204.2
14 48.7
15 50.2
16 81.5
17 15.4
18 12.6
19 61.4
20 113.1
21 68.7
OCOPh 166.8
OCOPh i- 129.2
OCOPh o- 130.1
OCOPh m- 128.7
OCOPh p- 133.6
Ac-2 169.2
Ac-2 21.4
Ac-7 172.8
Ac-7 20.9
Ac-9 168.4
Ac-9 21
Ac-10 170
Ac-10 21.4