2α,14β-Diacetoxy-10β-methoxytaxa-11,4(20)-dien-5α-ol

2α,14β-Diacetoxy-10β-methoxytaxa-11,4(20)-dien-5α-ol

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.

Proton NMR Peaks

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

Carbon NMR Peaks

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