Spektraris NMR
13-O-acetyl Wallifoliol
Common Name: 13-O-acetyl Wallifoliol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H36O11/c1-15-19(39-16(2)32)13-29-22(15)31(37,26(36)42-27(29,4)5)28(6)20(34)12-21-30(14-38-21,41-17(3)33)23(28)24(29)40-25(35)18-10-8-7-9-11-18/h7-11,19-21,23-24,34,37H,12-14H2,1-6H3/t19-,20-,21+,23-,24-,28+,29-,30-,31-/m0/s1
InChIKey: InChIKey=KIAGJENBRDLBMJ-IVHNDAKYSA-N
Formula: C31H36O11
Molecular Weight: 584.612134
Exact Mass: 584.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, S.S., Pan, Y.L., Lo, K.L., Chakraborty, R., Chien, C.T., Kuo, Y.H., Lin, Y.C. J Nat Prod (2002) 65, 1848-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Taxanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 60.6 |
| 2 (CH) | 68.2 |
| 3 (CH) | 43.8 |
| 4 (C) | 80.2 |
| 5 (CH) | 84.2 |
| 6 (CH2) | 37.5 |
| 7 (CH) | 71.2 |
| 8 (C) | 48.5 |
| 9 (C) | 85.1 |
| 10 (C) | 174.4 |
| 11 (C) | 133.7 |
| 12 (C) | 136.6 |
| 13 (CH) | 81.1 |
| 14 (CH2) | 34.1 |
| 15 (C) | 90.1 |
| 16 (CH3) | 24.9 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 11.2 |
| 19 (CH3) | 10.2 |
| 20 (CH2) | 74.1 |
| 2a (C) | 164.8 |
| 2b (C) | 129.7 |
| 2c (CH) | 129.5 |
| 2d (CH) | 128.7 |
| 2e (CH) | 133.4 |
| 2f (CH) | 128.7 |
| 2g (CH) | 129.5 |
| 4a (C) | 169.2 |
| 4b (CH3) | 21.2 |
| 13a (C) | 171 |
| 13b (CH3) | 21.2 |
