Common Name: 10-Deacetyltaxinine B
Synonyms:
CAS Registry Number: 155601-64-2
InChI: InChI=1S/C35H42O10/c1-18-25(39)16-24-32(43-21(4)37)30-19(2)26(45-28(40)15-14-23-12-10-9-11-13-23)17-27(42-20(3)36)35(30,8)33(44-22(5)38)31(41)29(18)34(24,6)7/h9-15,24,26-27,30-33,41H,2,16-17H2,1,3-8H3/b15-14+/t24-,26-,27-,30-,31+,32+,33-,35+/m0/s1
InChIKey: InChIKey=TUEORTUUXYOYDZ-HHQRTLARSA-N
Formula: C35H42O10
Molecular Weight: 622.7
Exact Mass: 622.2778
NMR Solvent: CDCl3
MHz: 500.0
Calibration: Not mentioned in reference
NMR references: Tong, X.J., Fang, W.S., Zhou, J.Y., He, C.H., Chen, W.M., and Fang, Q.C. (1993). Studies on the Chemical Constituents of Taxus Cuspidata. Chinese Chemical Letters 4, 887–890.
Species: Taxus
Notes: Carbon NMR data not available.
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
1 | 2.2 | dd | 6, 2 |
2 | 5.62 | dd | 6.3, 2 |
3 | 3.33 | d | 6.3 |
5 | 5.3 | m | |
6β | 1.76 | m | |
6α | 2.09 | m | |
7 | 5.38 | m | |
9 | 5.8 | d | 10 |
10 | 5.28 | d | 10 |
14β | 2.86 | dd | 20, 6 |
14α | 2.38 | d | 20 |
20 | 4.9 | s | |
20 | 5.42 | s | |
16 | 1.82 | s | |
17 | 1.24 | s | |
18 | 2.23 | s | |
19 | 1.02 | s | |
OAc | 2.07 | s | |
OAc | 2.09 | s | |
OAc | 2.14 | s | |
Ph | 7.8 | ||
Ph | 7.42 | ||
CH=CH-ph | 7.6 | d | 16 |
CH=CH-ph | 6.45 | d | 16 |