9α,13α-diacetoxy-11(15→1)abeotaxa-4(20),11-diene-5α,10β,15-triol

9α,13α-diacetoxy-11(15→1)abeotaxa-4(20),11-diene-5α,10β,15-triol

Common Name: 9α,13α-diacetoxy-11(15→1)abeotaxa-4(20),11-diene-5α,10β,15-triol

Synonyms:

CAS Registry Number:

InChI: 1S/C28H42O6/c1-15-11-12-27(10)21(16(15)2)13-28(26(7,8)9)14-22(32-18(4)29)17(3)23(28)24(33-19(5)30)25(27)34-20(6)31/h15,21-22,24-25H,2,11-14H2,1,3-10H3/t15-,21+,22-,24+,25-,27+,28-/m1/s1

InChIKey: VTJWPCFGTVXZMA-VUHMJFBISA-N

Formula: C24H36O7

Molecular Weight: 436.537

Exact Mass: 436.2506

NMR Solvent: CDCl13

MHz: 500 and 300 (1H); 125 (13C)

Calibration: TMS

NMR references: Shi, Q. W.

Oritani, T.

Sugiyama, T.

Horiguchi, T.

Murakami, R.

Zhao, D.

Oritani, T. Three new taxane diterpenoids from the seeds of Taxus yunnanensis Cheng et L. K. Fu and T. cuspidata Sieb et Zucc. Tetrahedron 1999, 55, 8365.

Species: T. yunnanensis seeds- collected in Congteng County of the Yunnan province in October 1995. The botanical identification was made by Prof. J. H. Wang, Department of Medicinal Plants, School of Pharmaceutical Science, Hebei Medical University, P.R. China. A voucher specimen has been deposited in the laboratory of Graduate School of Agricultural Science, Tohoku University.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2α 2 dd 8.5, 13.7
2β 1.33 d 13.7
3 2.84 brd 8.5
5 4.29 brs
6 1.75 m
7 1.55 m
9 5.55 d 9.9
10 4.47 d 9.9
13 5.47 brt 6.7
14α 1.18 dd 5.8, 15.4
14β 2.4 dd 6.9, 15.4
16 1.38 s
17 1.15 s
18 1.83 brs
19 0.74 s
20a 5.04 brs
20b 4.66 brs
9-AcO 2.03 s
13-AcO 1.99 s

Carbon NMR Peaks

Position PPM
1 61.9
2 29.1
3 39.4
4 152.3
5 73.2
6 31
7 27.1
8 41.8
9 81
10 7.6
11 141.3
12 141.2
13 80.4
14 43.8
15 76.8
16 25.8
17 27.3
18 11.4
19 16.9
20 109.7