10-deacetyl-10-oxobaccatin V

10-deacetyl-10-oxobaccatin V

Common Name: 10-deacetyl-10-oxobaccatin V

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H34O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,22,24,31-32,36H,11-13H2,1-5H3/t17-,18+,19+,22-,24?,27+,28?,29+/m0/s1

InChIKey: UEDMLPVUDFCAQM-ARBKTHDESA-N

Formula: C29H34O10

Molecular Weight: 542.2152

Exact Mass: 542.2154

NMR Solvent: CDCl3

MHz: 200 (1H); 50 (13C)

Calibration: TMS

NMR references: Kaoru Fuji, Kiyoshi Tanaka, Bo Li, Tetsuro Shingu, Handong Sun, and Tooru Taga. Novel Diterpenoids from Taxus Chinensis. Journal of Natural Products 1993 56 (9), 1520-1531. DOI: 10.1021/np50099a010

Species: Taxus chinensis leaves and stems- collected November 1990 at Yunnan, China.

Notes: Missing Proton Signals

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.8 d 7.3
3 4.07 d 7.3
5 4.92 brt 5.9
7 3.82 brd 12
13 4.92 brt 5.9
16 1.08 s
17 1.08 s
18 1.7 s
19 1.96 s
20α 4.42 d 8.5
20β 4.3 d 8.5
o-Ph 8.12 dd 1.6, 7.8
m-Ph 7.5 m
p-Ph 7.64 m

Carbon NMR Peaks

Position PPM
1 79.2
2 74.9
3 39.6
4 81.3
5 82.7
6 35.3
7 77.3
8 57.4
9 208.9
10 189.5
11 140.9
12 146.6
13 67.7
14 38.7
15 39.8
16 26.2
17 22.4
18 14.8
19 14.4
20 77.4