9α,10β-diacetoxy-5α-cinnamoyltaxa-4(20),11-dien-13α-ol

9α,10β-diacetoxy-5α-cinnamoyltaxa-4(20),11-dien-13α-ol

Common Name: 9α,10β-diacetoxy-5α-cinnamoyltaxa-4(20),11-dien-13α-ol

Synonyms:

CAS Registry Number: 307519-39-7

InChI: InChI=1S/C33H42O7/c1-19-25-17-24-18-26(36)20(2)29(32(24,5)6)30(38-21(3)34)31(39-22(4)35)33(25,7)16-15-27(19)40-28(37)14-13-23-11-9-8-10-12-23/h8-14,24-27,30-31,36H,1,15-18H2,2-7H3/b14-13+/t24-,25-,26+,27+,30-,31+,33-/m1/s1

InChIKey: InChIKey=SPBNCKZHVSNTMW-ARASHVSRSA-N

Formula: C33H42O7

Molecular Weight: 550.68

Exact Mass: 550.2931

NMR Solvent: CDCl3

MHz: 300.0

Calibration: TMS

NMR references: Shi, Q.-W., Oritani, T., Kiyota, H., and Zhao, D. (2000). Taxane diterpenoids from Taxus yunnanensis and Taxus cuspidata. Phytochemistry 54, 829–834.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.78 m
2 1.8 m
3 3.16 br d 5.7
5 5.48 br s
6a 1.99 m
6b 1.78 m
7a 1.8 m
7b 1.73 m
9 5.81 d 10.4
10 6.07 d 10.4
13 4.5 m
14α 1.15 dd 15.1, 5.5
14β 2.85 m
16 1.25 s
17 0.97 s
18 2.3 s
19 0.76 s
20a 5.26 br s
20b 4.91 br s
9-COCH3 2.05 s
10-COCH3 2.01 s
2' 6.7 d 15.9
3' 7.72 d 15.9
5' 7.55 m
6' 7.39 m
7' 7.39 m

Carbon NMR Peaks

Position PPM
1 40.6
2 28.5
3 39.2
4 149.2
5 77.6
6 28.1
7 30.4
8 43.8
9 78.2
10 73.9
11 135.1
12 142
13 68.9
14 37.4
15 39.5
16 27.1
17 32.7
18 16.8
19 18.2
20 114.9
9-OAc 21.9
9-OAc 171.2
10-OAc 21.6
10-OAc 170.8
1' 167.1
2' 118.7
3' 146.3
4' 135.2
5' 129.7
6' 128.9
7' 131