Common Name: 2α,14β-Diacetoxy-10β-methoxytaxa-11,4(20)-dien-5α-ol
Synonyms:
CAS Registry Number: 957467-70-8
InChI: InChI=1S/C25H38O6/c1-13-11-18(30-15(3)26)22-23(31-16(4)27)21-14(2)17(28)9-10-25(21,7)12-19(29-8)20(13)24(22,5)6/h17-19,21-23,28H,2,9-12H2,1,3-8H3/t17-,18-,19-,21-,22-,23-,25-/m0/s1
InChIKey: InChIKey=SSLBZFDBGAYIPC-QTYJYIDZSA-N
Formula: C25H38O6
Molecular Weight: 434.57
Exact Mass: 434.2668
NMR Solvent: CDCl3
MHz: 500.0
Calibration: Not mentioned.
NMR references: Dong, M., Zhang, M.-L., Wang, Y.-F., Zhang, X.-P., Li, C.-F., Shi, Q.-W., Cong, B., and Kiyota, H. (2007). Three New Taxanes with the 10-Alkoxy Group from the Heartwood of Taxus cuspidata. Bioscience, Biotechnology, and Biochemistry 71, 2087–2090.
Species: Taxus
Notes: Carbon assignment missing for position 8.
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
1 | 1.81 | d | 2.3 |
2 | 5.33 | dd | 6.2, 2.3 |
3 | 3.21 | d | 6.2 |
5 | 4.16 | t | 2.5 |
6 | 1.7 | m | |
7α | 2.04 | m | |
7β | 1.08 | m | |
9α | 1.6 | m | |
9β | 2.22 | m | |
10 | 4.64 | dd | 11.8, 5.4 |
13α | 2.76 | m | |
13β | 2.34 | m | |
14 | 5.02 | dd | 9.3, 4.6 |
16 | 1.15 | s | |
17 | 1.61 | s | |
18 | 1.98 | s | |
19 | 0.78 | s | |
20a | 5.08 | br s | |
20b | 4.76 | s | |
2-OAc | 2.02 | s | |
14-OAc | 2 | s | |
10-OMe | 3.27 | s |
Position | PPM |
---|---|
1 | 59 |
2 | 71 |
3 | 40 |
4 | 147.9 |
5 | 76.3 |
6 | 30.9 |
7 | 33 |
9 | 45.3 |
10 | 76 |
11 | 136.3 |
12 | 135.5 |
13 | 39.5 |
14 | 70.7 |
15 | 37.2 |
16 | 31.5 |
17 | 25.1 |
18 | 20.5 |
19 | 22.3 |
20 | 113 |
2-OAc | 21.5 |
2-OAc | 169.7 |
14-OAc | 21.5 |
14-OAc | 170.2 |
10-OMe | 55 |