2α,5α,9α,10β,14β-Pentaacetoxytaxa-4(20),11-diene

2α,5α,9α,10β,14β-Pentaacetoxytaxa-4(20),11-diene

Common Name: 2α,5α,9α,10β,14β-Pentaacetoxytaxa-4(20),11-diene

Synonyms:

CAS Registry Number: 183067-77-8

InChI: InChI=1S/C30H42O10/c1-14-13-22(37-17(4)32)25-26(38-18(5)33)24-15(2)21(36-16(3)31)11-12-30(24,10)28(40-20(7)35)27(39-19(6)34)23(14)29(25,8)9/h21-22,24-28H,2,11-13H2,1,3-10H3/t21-,22-,24-,25-,26-,27+,28-,30+/m0/s1

InChIKey: InChIKey=MDPMMMYRDXOPQH-ZARNYMJHSA-N

Formula: C30H42O10

Molecular Weight: 562.65

Exact Mass: 562.2778

NMR Solvent: CDCl3

MHz: 500.0

Calibration: Residual solvent.

NMR references: Dai, J., Yang, L., Sakai, J., and Ando, M. (2005). Combined biotransformations of 4(20),11-taxadienes. Tetrahedron 61, 5507–5517.

Species: Taxus

Notes: Chemical shift of residual solvent used in calibration not mentioned.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.93 d 2.2
2 5.4 dd 6.6, 2.4
3 2.96 d 6.6
5 5.3 t 3.6
6a 1.82 m
6b 1.7 m
7 1.68 m
9 5.79 d 10.3
10 6.01 d 10.5
13β 2.84 dd 19, 9
13α 2.43 dd 19, 4.9
14 4.97 dd 9, 4.9
16 1.71 s
17 1.12 s
18 2.14 s
19 0.84 s
20a 5.32 s
20b 4.87 s
Ac 2.17 s
Ac 2.04 s
Ac 2.03 s
Ac 2.01 s
Ac 2 s

Carbon NMR Peaks

Position PPM
1 58.5
2 70.2
3 44.1
4 141.4
5 78.3
6 28.3
7 27.3
8 44.4
9 72.5
10 76.8
11 137.3
12 132.8
13 39.4
14 68.9
15 37
16 25.8
17 31.6
18 21.8
19 17.3
20 118.1
OAc(CH3) 21.4
OAc(CH3) 21.3
OAc(CH3) 21.1
OAc(CH3) 21
OAc(CH3) 20.8
OAc(CO) 170
OAc(CO) 169.9
OAc(CO) 169.8
OAc(CO) 169.7
OAc(CO) 169.6