Spektraris NMR
Methyl 12b-hydroxysandaracopimarate
Common Name: Methyl 12b-hydroxysandaracopimarate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-6-19(2)13-14-8-9-16-20(3,15(14)12-17(19)22)10-7-11-21(16,4)18(23)24-5/h6,8,15-17,22H,1,7,9-13H2,2-5H3/t15-,16?,17+,19+,20+,21+/m0/s1
InChIKey: InChIKey=OLBJZJJCPIJGGV-FKFNPBDMSA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
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) | 18.1 |
| 3 (CH2) | 37.1 |
| 4 (C) | 46.6 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 25.3 |
| 7 (CH) | 122.1 |
| 8 (C) | 133.7 |
| 9 (CH) | 50.8 |
| 10 (C) | 35.1 |
| 11 (CH2) | 27.4 |
| 12 (CH) | 74.2 |
| 13 (C) | 42.7 |
| 14 (CH2) | 45.6 |
| 15 (CH) | 146.6 |
| 16 (CH2) | 114.4 |
| 17 (CH3) | 13.7 |
| 18 (C) | 179.2 |
| 19 (CH3) | 17.4 |
| 20 (CH3) | 15.3 |
| 18a (CH3) | 52 |
