(2α,5α,7β,9α,10β,13α)-5,10,13,20-tetraacetoxytax-11-ene-2,7,9-triol

(2α,5α,7β,9α,10β,13α)-5,10,13,20-tetraacetoxytax-11-ene-2,7,9-triol

Common Name: (2α,5α,7β,9α,10β,13α)-5,10,13,20-tetraacetoxytax-11-ene-2,7,9-triol

Synonyms:

CAS Registry Number: 935766-20-4

InChI: InChI=1S/C28H42O11/c1-12-19(37-14(3)30)9-18-24(34)23-17(11-36-13(2)29)20(38-15(4)31)10-21(33)28(23,8)26(35)25(39-16(5)32)22(12)27(18,6)7/h17-21,23-26,33-35H,9-11H2,1-8H3/t17-,18+,19+,20+,21+,23+,24-,25-,26+,28-/m1/s1

InChIKey: InChIKey=CDQBPFNQHGORTR-XIHUIZMNSA-N

Formula: C28H42O11

Molecular Weight: 554.63

Exact Mass: 554.2727

NMR Solvent: CDCl3

MHz: 500.0

Calibration: Not mentioned in reference.

NMR references: Cao, C.-M., Zhang, M.-L., Wang, Y.-F., Shi, Q.-W., Yamada, T., and Kiyota, H. (2006). Two New Taxanes from the Needles and Branches Bark of Taxus cuspidata. Chemistry & Biodiversity 3, 1153–1161.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.89 m
2 4.06 d 4.7
3 2.49 t 5
4 2.14 m
5 4.99 br s
6α 1.95 m
6β 1.8 m
7 4.12 dd 11.2, 4.6
9 4.27 d 10.5
10 5.98 d 10.5
13 5.89 br t 8.4
14α 1.44 dd 14.8, 7.7
14β 2.6 m
16 1.13 s
17 1.52 s
18 2.09 s
19 1.14 s
20a 4.6 d 10.6
20b 3.85 t 10
5-AcO 2.09 s
10-AcO 2.18 s
13-AcO 2.08 s
20-AcO 2.03 s

Carbon NMR Peaks

Position PPM
1 51.5
2 68.7
3 39.3
4 41.9
5 70.7
6 31
7 70.7
8 45.5
9 77.9
10 75
11 134
12 136.8
13 70.3
14 27.7
15 37.8
16 31.7
17 26
18 14.7
19 14.2
20 66.6
5-AcO 21.3
5-AcO 170.1
10-AcO 21.7
10-AcO 169.8
13-AcO 21.3
13-AcO 170.1
20-AcO 21
20-AcO 171.6