Spektraris NMR
Dihydrogrindelic acid
Common Name: Dihydrogrindelic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h14-15H,6-13H2,1-5H3,(H,21,22)/t14-,15-,18-,19-,20+/m0/s1
InChIKey: InChIKey=NVLJYZLKNZPYEN-HVXNZKGKSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mebe, P.P. Phytochemistry (2001) 57, 537-41
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) | 34.03 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 30.03 |
| 4 (C) | 30.27 |
| 5 (CH) | 49.58 |
| 6 (CH2) | 42.24 |
| 7 (CH2) | 18.62 |
| 8 (CH) | 39.56 |
| 9 (C) | 96.7 |
| 10 (C) | 42.5 |
| 11 (CH2) | 29.09 |
| 12 (CH2) | 38.72 |
| 13 (C) | 81.3 |
| 14 (CH2) | 47.07 |
| 15 (C) | 172.6 |
| 16 (CH3) | 28.01 |
| 17 (CH3) | 18.86 |
| 18 (CH3) | 34.07 |
| 19 (CH3) | 22.16 |
| 20 (CH3) | 18.7 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.