Taxuspine U

Taxuspine U

Common Name: Taxuspine U

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O11/c1-13-21(34)11-24(37-16(4)31)19(12-29)9-22(35)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13-/t20-,21-,22-,23?,24?,27?/m0/s1

InChIKey: NWGSLLPHAJKKFO-ZLZUOJCYSA-N

Formula: C28H40O11

Molecular Weight: 492.2359

Exact Mass: 492.2357

NMR Solvent: CDCl3

MHz:

Calibration: CHCl3 (7.26ppm and 77.1ppm)

NMR references: Hosoyama, H.

Inubushi, A.

Katasui, T.

Shigemori, H.

Kobayashi, J. Taxuspines U, V, and W, New Taxane and Related Diterpenoids from the Japanese Yew Taxus cuspidata. Tetrahedron 1996, 52, 13145.

Species: Taxus cuspidata from Sapporo, Hokkaido

Notes: NMR MHz unknown

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.78 dd 7.8, 4.2
2 4.68 dd 10.2, 4.2
3 5.59 d 10.2
5 5.54 br.s
6a 2.43 ddd 15.7, 8.4, 3
6b 2.06 m
7 4.4 d 7.7
10 6.83 s
13 5.42 d 10.1
14a 2.56 ddd 16.4, 10.11, 8.4
14b 2.11 m
16 1.1 s
17 1.23 s
18 2.02 s
19 1.52 s
20a 4.31 d 12.3
20b 3.78 d 12.3
5-OAc 2.21 s
9-OAc 2.21 s
10-OAc 1.98 s
13-OAc 2.12 s

Carbon NMR Peaks

Position PPM
1 48
2 66.7
3 127.5
4 135.4
5 71
6 36.3
7 63.7
8 128.8
9 139.9
10 68.3
11 136.5
12 136
13 69.8
14 25.1
15 36.2
16 32.5
17 29.7
18 15.9
19 11.3
20 58.8