Taxa-4(20),11(12)-diene-5α,10β,13α-triol

Taxa-4(20),11(12)-diene-5α,10β,13α-triol

Common Name: Taxa-4(20),11(12)-diene-5α,10β,13α-triol

Synonyms:

CAS Registry Number: 1042945-84-5

InChI: InChI=1S/C20H32O3/c1-11-14-8-13-9-16(22)12(2)18(19(13,3)4)17(23)10-20(14,5)7-6-15(11)21/h13-17,21-23H,1,6-10H2,2-5H3/t13-,14-,15+,16+,17+,20+/m1/s1

InChIKey: InChIKey=LIMDADQDZUPTLW-QJUXXTNESA-N

Formula: C20H32O3

Molecular Weight: 320.46

Exact Mass: 320.2351

NMR Solvent: CDCl3; CD3CN

MHz: 300.0

Calibration: not reported

NMR references: Li, H., Horiguchi, T., Croteau, R., and Williams, R.M. (2008). Studies on Taxol biosynthesis: preparation of taxadiene-diol and triol derivatives by deoxygenation of taxusin. Tetrahedron 64, 6561–6567.

Species: Taxus

Notes: Assignments not given in the literature for proton or carbon.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
5.15 dd 11.7, 5.7
4.97 s
4.64 s
4.3 comp
3.22 s
2.74 comp
2.18 dd 14.4, 11.7
2.06 m
2.01 d 1.2
1.62 comp
1.48 s
1.24 comp
0.93 s
0.66 s

Carbon NMR Peaks

Position PPM
156.2
142.5
136.9
109.6
75.2
69.1
68.7
48.4
41.5
39.8
39.7
37.6
35.9
34.1
34
32.3
25.9
22.5
21.5
17.2