Spektraris NMR
(13R)-7alpha,11alpha-Dihydroxy-14alpha-acetoxypimara-8,15-diene-18-oic acid methyl ester
Common Name: (13R)-7alpha,11alpha-Dihydroxy-14alpha-acetoxypimara-8,15-diene-18-oic acid methyl ester
Synonyms: (13R)-7alpha,11alpha-Dihydroxy-14alpha-acetoxypimara-8,15-diene-18-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C23H34O6/c1-7-21(3)12-15(26)18-17(19(21)29-13(2)24)14(25)11-16-22(18,4)9-8-10-23(16,5)20(27)28-6/h7,14-16,19,25-26H,1,8-12H2,2-6H3/t14-,15-,16-,19-,21+,22+,23-/m1/s1
InChIKey: InChIKey=RSDAPIIQMYPUII-AURODPEVSA-N
Formula: C23H34O6
Molecular Weight: 406.513341
Exact Mass: 406.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hussein, A.A., Rodriguez, B. J Nat Prod (2000) 63, 419-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 34.8 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 36.3 |
| 4 (C) | 47.2 |
| 5 (CH) | 40.2 |
| 6 (CH2) | 29.7 |
| 7 (CH) | 67.6 |
| 8 (C) | 131.1 |
| 9 (C) | 149.5 |
| 10 (C) | 38.5 |
| 11 (CH) | 63 |
| 12 (CH2) | 41.6 |
| 13 (C) | 40.8 |
| 14 (CH) | 79 |
| 15 (CH) | 143.6 |
| 16 (CH2) | 114.1 |
| 17 (CH3) | 26.1 |
| 18 (C) | 178.5 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 18.6 |
| 14a (C) | 171.1 |
| 14b (CH3) | 21.5 |
| 18a (CH3) | 52 |
