Spektraris NMR
Ent-methylisoozate dimer
Common Name: Ent-methylisoozate dimer
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H64O4/c1-28(12-20-33-29(2)13-22-35-39(33,4)24-10-26-41(35,6)37(43)45-8)32-18-15-31(16-19-32)17-21-34-30(3)14-23-36-40(34,5)25-11-27-42(36,7)38(44)46-9/h15,32-36H,1-3,10-14,16-27H2,4-9H3/t32?,33-,34+,35+,36-,39+,40-,41+,42-/m0/s1
InChIKey: InChIKey=FEDVOJBETKNLSY-AQRVLINCSA-N
Formula: C42H64O4
Molecular Weight: 632.956736
Exact Mass: 632.480461
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martins, D., Hamerski, L., Alvarenga, S.A.V., Roque, N.F. Phytochemistry (1999) 51, 813-7
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) | 37.8 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 37 |
| 4 (C) | 47.7 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 26.8 |
| 7 (CH2) | 38 |
| 8 (C) | 147.9 |
| 9 (CH) | 56.4 |
| 10 (C) | 38.9 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 38 |
| 13 (C) | 137.9 |
| 14 (CH) | 120 |
| 15 (CH2) | 34.7 |
| 16 (CH2) | 25.7 |
| 17 (CH2) | 106.7 |
| 18 (C) | 179.1 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 14.6 |
| 1' (CH2) | 37.8 |
| 2' (CH2) | 18.4 |
| 3' (CH2) | 37 |
| 4' (C) | 47.7 |
| 5' (CH) | 49.9 |
| 6' (CH2) | 26.8 |
| 7' (CH2) | 38 |
| 8' (C) | 147.9 |
| 9' (CH) | 56.4 |
| 10' (C) | 38.9 |
| 11' (CH2) | 22.1 |
| 12' (CH2) | 33.5 |
| 13' (C) | 154.9 |
| 14' (CH) | 40.4 |
| 15' (CH2) | 27.9 |
| 16' (CH2) | 106.7 |
| 17' (CH2) | 106.7 |
| 18' (C) | 179.1 |
| 19' (CH3) | 16.5 |
| 20' (CH3) | 14.6 |
| 18a (CH3) | 51.6 |
| 19'a (CH3) | 51.6 |
