7-deacetoxytaxuspine J

7-deacetoxytaxuspine J

Common Name: 7-deacetoxytaxuspine J

Synonyms: 5α-cinnamoyl-9α,10β,13α-triacetoxy-11(15→1)abeotaxa-4(20),11-dien-15-ol

CAS Registry Number:

InChI: 1S/C35H44O9/c1-20-26-18-35(33(6,7)40)19-28(41-22(3)36)21(2)30(35)31(42-23(4)37)32(43-24(5)38)34(26,8)17-16-27(20)44-29(39)15-14-25-12-10-9-11-13-25/h9-15,26-28,31-32,40H,1,16-19H2,2-8H3/b15-14+/t26-,27+,28+,31-,32+,34-,35+/m1/s1

InChIKey: InChIKey=ZKCFVSFRWFBJHA-GBCSHTAYSA-N

Formula: C35H44O9

Molecular Weight: 608.7161

Exact Mass: 608.2988

NMR Solvent: CDCl13

MHz: 500 (1H); 125 (13C)

Calibration: TMS

NMR references: Ryo Murakami, Qing-Wen Shi, Tohru Horiguchi & Takayuki Oritani(1999) A Novel Rearranged Taxoid from Needles of the Japanese Yew, Taxus cuspidata Sieb. et Zucc., Bioscience, Biotechnology, and Biochemistry, 63:9, 1660-1663, DOI: 10.1271/bbb.63.1660

Species: T. cuspidata- Ryo MURAKAMI, Qing-Wen SHI, Tohru HORIGUCHI & Takayuki ORITANI (1999) A Novel Rearranged Taxoid from Needles of the Japanese Yew, Taxus cuspidata Sieb. et Zucc., Bioscience, Biotechnology, and Biochemistry, 63:9, 1660-1663, DOI: 10.1271/bbb.63.1660

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2α 1.41 d 14.3
2β 2.18 dd 14.3, 8
3 2.76 d 8
5 5.49 brs
6α 1.95 m
6β 1.83 m
7 1.75 m
9 5.85 d 10.2
10 6.21 d 10.2
13 5.41 t 6.7
14α 1.21 dd 14.1, 6.3
14β 2.48 dd 14.1, 7.3
16 1.31 s
17 1.14 s
18 1.88 s
19 0.82 s
20a 5.26 s
20b 4.82 s
22 6.39 d 16.1
23 7.65 d 16.1
25 7.5 m
26 7.38 m
27 7.38 m
9-AcO 2.03 s
10-AcO 2 s
13-AcO 1.52 s
15-OH 2.4 brs

Carbon NMR Peaks

Position PPM
1 62.7
2 29.2
3 40.4
4 146.8
5 74.9
6 27.6
7 27.8
8 41.9
9 77.8
10 69.4
11 137.8
12 144.9
13 79.3
14 44.5
15 74.9
16 24.7
17 27
18 11.7
19 16.9
20 112.6
21 165.5
22 118.5
23 144.3
24 134.3
25 127.9
26 128.9
27 130.4