Spektraris NMR
Sandaracopimara-8(14),15-dien-18-yl hexadecanoate
Common Name: Sandaracopimara-8(14),15-dien-18-yl hexadecanoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H62O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-33(37)38-29-35(4)25-20-26-36(5)31-24-27-34(3,7-2)28-30(31)22-23-32(35)36/h7,28,31-32H,2,6,8-27,29H2,1,3-5H3/t31-,32-,34-,35-,36+/m0/s1
InChIKey: InChIKey=OHTHYVMUIPPBMK-LCOVOGNHSA-N
Formula: C36H62O2
Molecular Weight: 526.877629
Exact Mass: 526.474981
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seca, A.M.L., Silva, A.M.S., Bazzocchi, I.L., Jimenez, I.A. Phytochemistry (2008) 69, 498-505
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) | 38.8 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 36 |
| 4 (C) | 36.7 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 22.5 |
| 7 (CH2) | 35.6 |
| 8 (C) | 136.7 |
| 9 (CH) | 50.6 |
| 10 (C) | 38.1 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 34.5 |
| 13 (C) | 37.4 |
| 14 (CH) | 128.8 |
| 15 (CH) | 149 |
| 16 (CH2) | 110 |
| 17 (CH3) | 26 |
| 18 (CH2) | 72.6 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 15.5 |
| 18a (C) | 174 |
| 18b (CH2) | 34.5 |
| 18c (CH2) | 25.1 |
| 18d (CH2) | 29.7 |
| 18e (CH2) | 29.7 |
| 18f (CH2) | 29.7 |
| 18g (CH2) | 29.7 |
| 18h (CH2) | 29.2 |
| 18i (CH2) | 29.2 |
| 18j (CH2) | 29.2 |
| 18k (CH2) | 29.2 |
| 18l (CH2) | 29.2 |
| 18m (CH2) | 29.2 |
| 18n (CH2) | 31.9 |
| 18o (CH2) | 22.7 |
| 18p (CH3) | 14.1 |
