Spektraris NMR
(13R)-1alpha,11alpha,14alpha-Trihydroxy-7alpha-acetoxypimara-8,15-diene-18-oic acid methyl ester
Common Name: (13R)-1alpha,11alpha,14alpha-Trihydroxy-7alpha-acetoxypimara-8,15-diene-18-oic acid methyl ester
Synonyms: (13R)-1alpha,11alpha,14alpha-Trihydroxy-7alpha-acetoxypimara-8,15-diene-18-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C23H34O7/c1-7-21(3)11-13(25)18-17(19(21)27)14(30-12(2)24)10-15-22(4,20(28)29-6)9-8-16(26)23(15,18)5/h7,13-16,19,25-27H,1,8-11H2,2-6H3/t13-,14-,15+,16+,19-,21+,22-,23-/m1/s1
InChIKey: InChIKey=OKEBEOPRWZEJIC-XQZPBNDJSA-N
Formula: C23H34O7
Molecular Weight: 422.512746
Exact Mass: 422.230453
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 (CH) | 69.9 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 29.6 |
| 4 (C) | 46.8 |
| 5 (CH) | 34.2 |
| 6 (CH2) | 27.3 |
| 7 (CH) | 71.3 |
| 8 (C) | 135.5 |
| 9 (C) | 148.8 |
| 10 (C) | 43.4 |
| 11 (CH) | 62.6 |
| 12 (CH2) | 39.9 |
| 13 (C) | 42.1 |
| 14 (CH) | 76.5 |
| 15 (CH) | 145 |
| 16 (CH2) | 113.4 |
| 17 (CH3) | 26.6 |
| 18 (C) | 178 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 18.4 |
| 7a (C) | 170.9 |
| 7b (CH3) | 21.4 |
| 18a (CH3) | 51.9 |
