5α,13α-Dihydroxy-2α,10β-diacetoxytaxa-4(20),11(12)-diene

5α,13α-Dihydroxy-2α,10β-diacetoxytaxa-4(20),11(12)-diene

Common Name: 5α,13α-Dihydroxy-2α,10β-diacetoxytaxa-4(20),11(12)-diene

Synonyms: 5α,13α-Dihydroxy-2α,10β-diacetoxytaxa-4(20),11(12)-diene

CAS Registry Number: 856889-93-5

InChI: InChI=1S/C24H36O6/c1-12-17(27)8-9-24(7)11-19(29-14(3)25)20-13(2)18(28)10-16(23(20,5)6)22(21(12)24)30-15(4)26/h16-19,21-22,27-28H,1,8-11H2,2-7H3/t16-,17-,18-,19-,21-,22+,24-/m0/s1

InChIKey: InChIKey=BGSADWWOJHEAMO-ODEUEQIYSA-N

Formula: C24H36O6

Molecular Weight: 420.54

Exact Mass: 420.25119

NMR Solvent: CDCl3

MHz: 500.0

Calibration: TMS

NMR references: Zhang, M., Yin, D., Guo, J.-Y., and Liang, X.-T. (2005). Synthesis of 7,9-dideoxybaccatin IV analogs from sinenxan A. Tetrahedron 61, 5519–5527.

Species: Taxus

Notes: Multiplets reported as ppm ranges were changed to center ppm value of the multiplet. Relative stereochemistry not reported in literature. Acetate proton signals poorly resolved.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.76 m
2 5.61 dd 6, 1.5
3 3.4 d 5.5
5 4.28 br s
6 1.76 m
7 1.18 m
7 2.15 m
9 1.44 m
9 2.32 dd 14.5, 12
10 6.09 dd 12, 5.5
13 4.35 dd 10.2, 3.3
14 2.7 dt 15.5, 10
14 1.63 dt 15.5, 3
16 1.59 s
17 0.93 s
18 2.2 s
19 0.84 s
20 5.15 s
20 4.83 t 1.5
OAc-CH3 2.05 br s
OAc-CH3 2.05 br s