10-​Deacetyltaxinine B

10-​Deacetyltaxinine B

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.

Proton NMR Peaks

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
1.76 m
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