taxuspine X

taxuspine X

Common Name: taxuspine X

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C42H52O14/c1-23-35(52-26(4)44)19-34-38(54-28(6)46)18-32(21-50-25(3)43)37(51-22-33(49)17-16-31-14-12-11-13-15-31)20-36(53-27(5)45)24(2)40(55-29(7)47)41(56-30(8)48)39(23)42(34,9)10/h11-18,34-38,41H,19-22H2,1-10H3/b17-16+,32-18+,40-24-/t34-,35?,36?,37-,38?,41?/m0/s1

InChIKey: AHMSFZPWKYVJPE-BBUGPCPDSA-N

Formula: C41H50O14

Molecular Weight: 766.3202

Exact Mass: 766.3141

NMR Solvent: CDCl3

MHz: 500 (H), 125 (C)

Calibration: TMS

NMR references: Shigemori, H.

Wang, X. X.

Yoshida, N.

Kobayashi, J. Chem. Pharm. Bull. 1997, 45, 1205.

Species: stems of T. cuspidata from Hokkaido

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.81 m
2 5.8 dd 11.1, 4.8
3 5.99 d 11.1
5 5.75 m
6a 2.57 m
6b 2.14 m
7 5.5 d 9.1
10 7.27 s
13 5.28 d 9.1
14a 2.55 m
14b 2.03 m
16 1.12 s
17 1.3 s
18 2.28 s
19 1.65 s
20a 4.93 d 12.9
20b 4.41 d 12.9
22 6.6 d 15.1
23 7.87 d 15.1
25 7.53 m
26 7.4 m
27 7.4 m
2-OAc 1.98 s
7-OAc 1.98 s
9-OAc 1.88 s
10-OAc 2.06 s
13-OAc 1.95 s
20-OAc 2.2 s

Carbon NMR Peaks

Position PPM
1 46.47
2 68.85
3 124.48
4 132.21
5 69.42
6 35.11
7 66.74
8 125.45
9 143.67
10 68.56
11 136.92
12 135.4
13 69.99
14 25.8
15 36.19
16 33.2
17 25.17
18 17.01
19 12.23
20 59.67
21 165.65
22 117.87
23 145.93
24 134.1
25 128.12
26 129.08
27 130.7