Spektraris NMR
Methyl 12b-acetoxysandaracopimarate
Common Name: Methyl 12b-acetoxysandaracopimarate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O4/c1-7-21(3)14-16-9-10-18-22(4,17(16)13-19(21)27-15(2)24)11-8-12-23(18,5)20(25)26-6/h7,9,17-19H,1,8,10-14H2,2-6H3/t17-,18?,19+,21+,22+,23+/m0/s1
InChIKey: InChIKey=WBAFGFSOTAHUMN-ARCXIGLMSA-N
Formula: C23H34O4
Molecular Weight: 374.514531
Exact Mass: 374.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barrero A.F., Quilez del Moral J.F., Lucas R., Paya M., Akssira M., Akaad S., Mellouki F. J Nat Prod (2003) 66, 844-50
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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) | 38.8 |
| 2 (CH2) | 18 |
| 3 (CH2) | 37 |
| 4 (C) | 46.6 |
| 5 (CH) | 45 |
| 6 (CH2) | 25.3 |
| 7 (CH) | 122.3 |
| 8 (C) | 133.2 |
| 9 (CH) | 50.4 |
| 10 (C) | 35.1 |
| 11 (CH2) | 25.6 |
| 12 (CH) | 76.7 |
| 13 (C) | 41 |
| 14 (CH2) | 45.5 |
| 15 (CH) | 145.9 |
| 16 (CH2) | 112.4 |
| 17 (CH3) | 15.2 |
| 18 (C) | 179.2 |
| 19 (CH3) | 17.4 |
| 20 (CH3) | 15.5 |
| 12a (C) | 170.7 |
| 12b (CH3) | 21.3 |
| 18a (CH3) | 52.1 |
