Spektraris NMR
2α-acetoxybrevifoliol
Common Name: 2α-acetoxybrevifoliol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O11/c1-16-22(37)14-24(44-30(39)21-12-10-9-11-13-21)32(8)26(16)28(42-19(4)35)33(40)15-23(38)17(2)25(31(33,6)7)27(41-18(3)34)29(32)43-20(5)36/h9-13,22-24,26-29,37-38,40H,1,14-15H2,2-8H3/t22-,23+,24?,26-,27?,28?,29?,32+,33+/m0/s1
InChIKey: ZDWLALGTXWZOEY-RXYNZYSOSA-N
Formula: C33H42O11
Molecular Weight: 614.6814
Exact Mass: 614.2727
NMR Solvent: CDCl3
MHz: 300 MHz (H), 75.4 MHz (C)
Calibration: TMS
NMR references: Appendino, G.
Tagliapietra, S.
Ozen, H. C.
Gariboldi, P.
Gabetta, B.
Bombardelli, E. J. Nat. Prod. 1993, 56, 514.
Species: commercially available seeds of T. baccata
Notes: This structure has been revised to Taxchinin A (record 769)
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 6.02 | d | 9 |
| 3 | 3.3 | d | 9 |
| 5 | 4.3 | br | |
| 6α | 1.7 | m | |
| 6β | 1.9 | m | |
| 7 | 5.48 | dd | 11, 5.2 |
| 9 | 5.98 | d | 10.5 |
| 10 | 6.54 | d | 10.5 |
| 13 | 4.42 | br t | 7.1 |
| 14α | 1.96 | m | |
| 14β | 2.29 | dd | 14.2, 7.1 |
| 16 | 1.08 | s | |
| 17 | 1.17 | s | |
| 18 | 2.04 | s | |
| 19 | 1 | s | |
| 20α | 5.16 | br s | |
| 20β | 4.56 | br s | |
| OAc | 2.03 | s | |
| 1.97 | s | ||
| 1.75 | s | ||
| Arom | 7.81 | d | 8 |
| 7.39 | t | 8 | |
| 7.53 | t | 8 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 75.58 |
| 2 | 67.5 |
| 3 | 42.11 |
| 4 | 143.76 |
| 5 | 74.41 |
| 6 | 37.2 |
| 7 | 69.31 |
| 8 | 68.52 |
| 9 | 76.1 |
| 10 | 69.64 |
| 11 | 132.02 |
| 12 | 152.93 |
| 13 | 76.95 |
| 14 | 40.43 |
| 15 | 45.22 |
| 16 | 27.67 |
| 17 | 25.61 |
| 18 | 12.19 |
| 19 | 13.37 |
| 20 | 112.92 |
Copyright © 2024
The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.