Spektraris NMR
9α,13α-diacetoxy-10β-benzoyloxy-5α-[(R)-30-dimethylamino-30-phenylpropanoyloxy]-11(15→1)abeotaxa-4(20),11-dien-15-ol
![9α,13α-diacetoxy-10β-benzoyloxy-5α-[(R)-30-dimethylamino-30-phenylpropanoyloxy]-11(15→1)abeotaxa-4(20),11-dien-15-ol](/nmr/static/nmr/svg/749.svg)
Common Name: 9α,13α-diacetoxy-10β-benzoyloxy-5α-[(R)-30-dimethylamino-30-phenylpropanoyloxy]-11(15→1)abeotaxa-4(20),11-dien-15-ol
Synonyms:
CAS Registry Number:
InChI: 1S/C43H55NO8/c1-26-32-24-43(41(5,6)7)25-35(49-28(3)45)27(2)37(43)38(52-40(48)31-19-15-12-16-20-31)39(50-29(4)46)42(32,8)22-21-34(26)51-36(47)23-33(44(9)10)30-17-13-11-14-18-30/h11-20,32-35,38-39H,1,21-25H2,2-10H3/t32-,33?,34+,35+,38-,39+,42-,43+/m0/s1
InChIKey: XYCMPEJJLWMCDQ-YPJRFIFJSA-N
Formula: C42H53N1O9
Molecular Weight: 715.8694
Exact Mass: 715.3721
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. 1995
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2α | 2.18 | m | |
| 2β | 1.4 | m | |
| 3 | 2.73 | d | 5.7 |
| 5 | 5.25 | brs | |
| 6 | 1.4 | m | |
| 7 | 1.58 | m | |
| 9 | 5.96 | d | |
| 10 | 6.41 | d | |
| 13 | 5.5 | brt | |
| 14α | 1.23 | m | |
| 14β | 2.51 | dd | |
| 16 | 1.36 | s | |
| 17 | 1.15 | s | |
| 18 | 1.99 | brs | |
| 19 | 0.74 | s | |
| 20a | 5.12 | brs | |
| 20b | 4.74 | brs | |
| 9-AcO | 1.78 | s | |
| 13-AcO | 1.94 | s | |
| 2'a | 2.91 | dd | 7.9, 13.5 |
| 2'b | 2.65 | dd | 5.5, 13.5 |
| 3' | 3.8 | brt | 7.9 |
| 5' | 7.3 | m | |
| 6' | 7.3 | m | |
| 7' | 7.3 | m | |
| N(CH3)2 | 2.18 | s | |
| 3" | 7.88 | brd | 8.1 |
| 4" | 7.44 | m | |
| 5" | 7.58 | t | 7.5 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 63.1 |
| 2 | 29.2 |
| 3 | 40.6 |
| 4 | 147 |
| 5 | 74.9 |
| 6 | 29.3 |
| 7 | 27.2 |
| 8 | 41.7 |
| 9 | 77.5 |
| 10 | 70 |
| 11 | 137.5 |
| 12 | 146.1 |
| 13 | 79.4 |
| 14 | 44.4 |
| 15 | 75.9 |
| 16 | 24.99 |
| 17 | 27.6 |
| 18 | 11.9 |
| 19 | 16.8 |
| 20 | 112.1 |
