Spektraris NMR
Scopadulcic C
Common Name: Scopadulcic C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-21,28H,7,10-16H2,1-3H3,(H,30,31)/t18-,19+,20-,21-,24-,25-,26-,27-/m0/s1
InChIKey: InChIKey=WWVRZFRQYUNQBN-KHZBVFSQSA-N
Formula: C27H36O5
Molecular Weight: 440.572761
Exact Mass: 440.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Phan, M.G., Phan, T.S., Matsunami, K., Otsuka, H. Chem Pharm Bull (2006) 54, 546-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Thyrsifloranes; 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) | 34.1 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 38.9 |
| 4 (C) | 42.4 |
| 5 (CH) | 52.3 |
| 6 (CH) | 69.3 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 29.4 |
| 9 (C) | 53 |
| 10 (C) | 39.1 |
| 11 (CH2) | 37.8 |
| 12 (C) | 43.6 |
| 13 (CH) | 74.7 |
| 14 (CH2) | 36.2 |
| 15 (CH2) | 36.3 |
| 16 (CH2) | 22.1 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 29.3 |
| 19 (C) | 181.2 |
| 20 (CH3) | 20.8 |
| 1' (C) | 130.7 |
| 2' (CH) | 129.6 |
| 3' (CH) | 128.3 |
| 4' (CH) | 132.7 |
| 5' (CH) | 128.3 |
| 6' (CH) | 129.6 |
| 7' (C) | 165.9 |
