2α,9α,10ß,13α-Tetraacetoxy-taxa-4(20),11-dien-5α-ol

2α,9α,10ß,13α-Tetraacetoxy-taxa-4(20),11-dien-5α-ol

Common Name: 2α,9α,10ß,13α-Tetraacetoxy-taxa-4(20),11-dien-5α-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O9/c1-13-20(33)10-11-28(9)23(13)24(35-16(4)30)19-12-21(34-15(3)29)14(2)22(27(19,7)8)25(36-17(5)31)26(28)37-18(6)32/h19-21,23-26,33H,1,10-12H2,2-9H3/t19-,20-,21?,23-,24?,25?,26?,28+/m0/s1

InChIKey: UVSUZWKQQLMVQV-VUGBDUHKSA-N

Formula: C28H40O9

Molecular Weight: 520.2677

Exact Mass: 520.2672

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)
1 1.82 br d
2 5.47 dd
3 3.57 d
5 4.25 br s
6a 1.8 m
6b 1.65 m
7a 1.85 m
7b 1.69 m
9 5.81 d
10 6.08 d
13 5.75 ddd
14a 1.52 dd
14b 2.65 ddd
16 0.86 s
17 1.72 s
18 2.15 d
19 1.03 s
20a 5.24 br s
20b 4.85 br s
2-OAc 2.11 s
9-OAc 2.05 s
10-OAc 2.05 s
13-OAc 2.02 s

Carbon NMR Peaks

Position PPM
1 47.64
2 71.5
3 41.53
4 146.89
5 76.65
6 25.76
7 28.63
8 44.69
9 76.93
10 72.62
11 134.03
12 137.83
13 69.69
14 30.15
15 37.07
16 26.41
17 32.15
18 15.78
19 17.3
20 115.24