Taxa-4(20),11(12)-diene-5α,9α,13α-triol

Taxa-4(20),11(12)-diene-5α,9α,13α-triol

Common Name: Taxa-4(20),11(12)-diene-5α,9α,13α-triol

Synonyms: Taxa-4(20),11(12)-diene-5α,9α,13α-triol

CAS Registry Number: 1042945-82-3

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

InChIKey: InChIKey=DHTDEBCLNDJWNI-XNNUGQPQSA-N

Formula: C20H32O3

Molecular Weight: 320.46

Exact Mass: 320.2351

NMR Solvent: CDCl3; benzene-d6

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: Neither proton nor carbon NMR assignments given in literature.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
5.03 s
4.69 s
4.35 br s
4.32 s
4.08 m
3.55 s
2.83 comp
2.54 dt 13.2, 5.1
2.23 br s
2 s
1.35 m
1.33 s
1.2 dd 15.3, 3.9
0.92 s
0.83 s

Carbon NMR Peaks

Position PPM
156.4
138.2
136.3
109.6
76.8
75.9
69.6
46.7
40.9
40.6
38.1
37.6
37.1
32.8
32.5
28.4
26.6
26.3
19
17.6