Spektraris NMR
Moldenin
Common Name: Moldenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H66O4/c1-26(11-15-30-28(3)13-17-32-37(5,6)34(41)19-22-39(30,32)9)21-24-44-36(43)25-27(2)12-16-31-29(4)14-18-33-38(7,8)35(42)20-23-40(31,33)10/h26-27,30-34,41H,3-4,11-25H2,1-2,5-10H3/t26?,27?,30-,31-,32-,33?,34-,39+,40+/m0/s1
InChIKey: InChIKey=WWGJIUMHLNAQGO-FDLZVUMRSA-N
Formula: C40H66O4
Molecular Weight: 610.951145
Exact Mass: 610.496111
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - David, J.P., David, J.M., Yang, S.W., Cordell, G.A. Phytochemistry (1999) 50, 443-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 37.1 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 78.9 |
| 4 (C) | 39.1 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 24 |
| 7 (CH2) | 38.1 |
| 8 (C) | 147.3 |
| 9 (CH) | 56.8 |
| 10 (C) | 39.3 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 35.9 |
| 13 (CH) | 30.4 |
| 14 (CH2) | 35.8 |
| 15 (CH2) | 62.8 |
| 16 (CH3) | 19.4 |
| 17 (CH2) | 106.7 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 28.3 |
| 20 (CH3) | 14.5 |
| 1' (CH2) | 37.6 |
| 2' (CH2) | 34.8 |
| 3' (C) | 218 |
| 4' (C) | 47.8 |
| 5' (CH) | 55.2 |
| 6' (CH2) | 25 |
| 7' (CH2) | 37.9 |
| 8' (C) | 148.2 |
| 9' (CH) | 55.9 |
| 10' (C) | 39.4 |
| 11' (CH2) | 21 |
| 12' (CH2) | 35.6 |
| 13' (CH) | 30.9 |
| 14' (CH2) | 42.1 |
| 15' (C) | 173.3 |
| 16' (CH3) | 19.6 |
| 17' (CH2) | 107.5 |
| 18' (CH3) | 21.7 |
| 19' (CH3) | 26 |
| 20' (CH3) | 14.1 |
