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:
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 |
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 |