1-hydroxy taxuspine C

1-hydroxy taxuspine C

Common Name: 1-hydroxy taxuspine C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H42O10/c1-18-25(38)17-34(40)20(3)28(18)30(41-21(4)35)32(43-23(6)37)33(7)16-15-26(19(2)29(33)31(34)42-22(5)36)44-27(39)14-13-24-11-9-8-10-12-24/h8-14,18,20,26,28-32,40H,2,15-17H2,1,3-7H3/b14-13+/t18-,20-,26+,28?,29+,30?,31?,32?,33-,34+/m1/s1

InChIKey: SUZYYQASIKVYCR-ZNHNYONOSA-N

Formula: C35H42O10

Molecular Weight: 622.2735

Exact Mass: 622.2779

NMR Solvent: CDCl3, d-choloroform 

MHz: 300 (C), 125(H)

Calibration: unknown

NMR references: Shi, Q. W.

Oritani, T.

Horiguchi, T.

Sugiyama, T.

Murakami, R.

Yamada, T. Biosci. Biotechnol. Biochem. 1999, 63, 924

Species: Taxus cuspidata needles from Sendai, Japan

Notes: calibration unknown

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2a 6.15 br s
5 5.65 br t 8.8
6a 1.8 m
6b 2.18 m
7a 1.85 m
7b 1.16 m
9 5.75 s
10 5.75 s
12 3.5 q 7.1
14a 2.89 d
14b 2.43 d 20.3
16 1.1 s 20.3
17 1.64 s
18 1.3 d 7.18
19 1.29 s
20a 5.72 s
20b 5.89 s
2' 6.4 d 15.9
3' 7.69 d 15.9
5'/9' 7.56 m
6'/8' 7.4 m
7' 7.4 m
2-OAc 2.17 s
9-OAc 2.06 s
10-OAc 2.16 s

Carbon NMR Peaks

Position PPM
1 79.08
2 79.12
3 61.38
4 140.86
5 76.29
6 26.41
7 31.07
8 45.14
9 49.55
10 49.17
11 56.04
12 51.55
13 212.96
14 46.18
15 45.08
16 22.51
17 23.3
18 15.77
19 25.73
20 130.44
1' 165.65
2' 117.61
3' 145.48
4' 134.18
5'/9' 128.25
6'/8' 128.87
7' 130.44