Spektraris NMR
Wikstroelide F
Common Name: Wikstroelide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H48O10/c1-20(2)33-17-24(18-43-31(40)23-14-10-8-11-15-23)37-26-29(33)45-35(46-33,47-37)16-12-7-5-6-9-13-21(3)25-22(4)28(39)36(42,27(25)37)32(41)34(19-38)30(26)44-34/h8,10-11,14-15,21-22,24-27,29-30,32,38,41-42H,1,5-7,9,12-13,16-19H2,2-4H3/t21-,22-,24-,25-,26+,27+,29+,30-,32+,33+,34-,35?,36+,37+/m0/s1
InChIKey: InChIKey=WMLLDXBLUHWCGZ-FMHWXIRPSA-N
Formula: C37H48O10
Molecular Weight: 652.772434
Exact Mass: 652.324748
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abe, F., Iwase, Y., Yamauchi, T., Kinjo, K., Yaga, S. Phytochemistry (1997) 44, 643-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Daphnanes; 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 (CH) | 48.2 |
| 2 (CH) | 42.6 |
| 3 (C) | 219.8 |
| 4 (C) | 75.7 |
| 5 (CH) | 71.7 |
| 6 (C) | 60.9 |
| 7 (CH) | 63.9 |
| 8 (CH) | 36.1 |
| 9 (C) | 79.9 |
| 10 (CH) | 43.1 |
| 11 (CH) | 41.7 |
| 12 (CH2) | 32 |
| 13 (C) | 83.5 |
| 14 (CH) | 82.6 |
| 15 (C) | 146 |
| 16 (CH2) | 111.3 |
| 17 (CH3) | 18.8 |
| 18 (CH2) | 69.3 |
| 19 (CH3) | 13.7 |
| 20 (CH2) | 65.2 |
| 1' (C) | 119.9 |
| 2' (CH2) | 33.5 |
| 3' (CH2) | 29.3 |
| 4' (CH2) | 25 |
| 5' (CH2) | 25 |
| 6' (CH2) | 25 |
| 7' (CH2) | 20.5 |
| 8' (CH2) | 38.1 |
| 9' (CH) | 30.1 |
| 10' (CH3) | 12.5 |
| 18a (C) | 166.5 |
| 18b (C) | 130.4 |
| 18c (CH) | 129.6 |
| 18d (CH) | 128.3 |
| 18e (CH) | 132.9 |
| 18f (CH) | 128.3 |
| 18g (CH) | 129.6 |
