Spektraris NMR
(13R)-1alpha,7alpha-Diacetoxy-14-oxopimara-8,15-diene-18-oic acid methyl ester
Common Name: (13R)-1alpha,7alpha-Diacetoxy-14-oxopimara-8,15-diene-18-oic acid methyl ester
Synonyms: (13R)-1alpha,7alpha-Diacetoxy-14-oxopimara-8,15-diene-18-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C25H34O7/c1-8-23(4)11-9-16-20(21(23)28)17(31-14(2)26)13-18-24(5,22(29)30-7)12-10-19(25(16,18)6)32-15(3)27/h8,17-19H,1,9-13H2,2-7H3/t17-,18+,19+,23+,24-,25-/m1/s1
InChIKey: InChIKey=JOQHFUTUMORWNY-HZATXJPPSA-N
Formula: C25H34O7
Molecular Weight: 446.534218
Exact Mass: 446.230453
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) | 72.4 |
| 2 (CH2) | 21.7 |
| 3 (CH2) | 29.9 |
| 4 (C) | 46.4 |
| 5 (CH) | 34.8 |
| 6 (CH2) | 26.6 |
| 7 (CH) | 64.3 |
| 8 (C) | 129.6 |
| 9 (C) | 164.9 |
| 10 (C) | 42.8 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 35.2 |
| 13 (C) | 47.5 |
| 14 (C) | 199.7 |
| 15 (CH) | 140.5 |
| 16 (CH2) | 114.6 |
| 17 (CH3) | 23.6 |
| 18 (C) | 177.5 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 18.5 |
| 1a (C) | 170.4 |
| 1b (CH3) | 21.3 |
| 7a (C) | 170.1 |
| 7b (CH3) | 21 |
| 18a (CH3) | 52 |
