Spektraris NMR
Heldrichinic acid
Common Name: Heldrichinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12(2)13-6-7-14-18(3)8-5-9-19(4,17(22)23)15(18)10-16(21)20(14,24)11-13/h7,13,15,24H,1,5-6,8-11H2,2-4H3,(H,22,23)/t13-,15-,18-,19-,20-/m1/s1
InChIKey: InChIKey=DPTWNVPCAHTXIV-DWCOQOHISA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Topcu, G., Tan, N. Phytochemistry (1995) 40, 1473-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 43.1 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 41.2 |
| 4 (C) | 35.4 |
| 5 (CH) | 58 |
| 6 (CH2) | 46.1 |
| 7 (C) | 214.2 |
| 8 (C) | 76.5 |
| 9 (C) | 111.2 |
| 10 (C) | 39.8 |
| 11 (CH) | 110.5 |
| 12 (CH2) | 30 |
| 13 (CH) | 40 |
| 14 (CH2) | 43.1 |
| 15 (C) | 148.7 |
| 16 (CH2) | 110.3 |
| 17 (CH3) | 18.3 |
| 18 (C) | 182.3 |
| 19 (CH3) | 29.7 |
| 20 (CH3) | 15.6 |
