Spektraris NMR
annomosin A
Common Name: annomosin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H60O5/c1-34(23-41)13-5-15-36(3)29(34)11-17-38-19-26(7-9-31(36)38)28(21-38)33(43)45-25-40(44)22-39-18-12-30-35(2,24-42)14-6-16-37(30,4)32(39)10-8-27(40)20-39/h23-24,26-32,44H,5-22,25H2,1-4H3/t26-,27?,28-,29-,30-,31+,32+,34+,35+,36-,37-,38+,39+,40-/m1/s1
InChIKey: InChIKey=SAUDOPUDLXLFLB-VCJNJMIZSA-N
Formula: C40H60O5
Molecular Weight: 620.902906
Exact Mass: 620.444075
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, Y.L., Chang, F.R., Wu, C.C., Wang, W.Y., Wu, Y.C. J Nat Prod (2002) 65, 1462-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 39.8 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 34.2 |
| 4 (C) | 48.4 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 41.7 |
| 8 (C) | 44.9 |
| 9 (CH) | 54.5 |
| 10 (C) | 39.4 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 30.9 |
| 13 (CH) | 41.1 |
| 14 (CH2) | 38.3 |
| 15 (CH2) | 44.7 |
| 16 (CH) | 45.4 |
| 17 (C) | 177.6 |
| 18 (CH3) | 24.3 |
| 19 (CH) | 205.9 |
| 20 (CH3) | 16.2 |
| 1' (CH2) | 39.7 |
| 2' (CH2) | 18.3 |
| 3' (CH2) | 34.1 |
| 4' (C) | 48.4 |
| 5' (CH) | 56.5 |
| 6' (CH2) | 20.4 |
| 7' (CH2) | 40.9 |
| 8' (C) | 43.6 |
| 9' (CH) | 55.5 |
| 10' (C) | 39.3 |
| 11' (CH2) | 18.5 |
| 12' (CH2) | 26.6 |
| 13' (CH) | 41.3 |
| 14' (CH2) | 38.4 |
| 15' (CH2) | 52.4 |
| 16' (C) | 78.8 |
| 17' (CH2) | 71 |
| 18' (CH3) | 24.3 |
| 19' (CH) | 205.8 |
| 20' (CH3) | 16.3 |
