Spektraris NMR
Sinulaflexiolide I
Common Name: Sinulaflexiolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-15-7-6-8-16(2)10-12-18(21)20(5,23)14-13-17(11-9-15)19(3,4)22/h8-9,11,18,21-23H,6-7,10,12-14H2,1-5H3/b15-9+,16-8+,17-11+/t18-,20+/m0/s1
InChIKey: InChIKey=DFJSWEJPLPHMFZ-RJOKEQBQSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wen, T., Ding, Y., Deng, Z., van Ofwegen, L., Proksch, P., Lin, W. J Nat Prod (2008) 71, 1133-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 139.4 |
| 2 (CH) | 119.8 |
| 3 (CH) | 122.1 |
| 4 (C) | 139.3 |
| 5 (CH2) | 31.5 |
| 6 (CH2) | 25.2 |
| 7 (CH) | 124.2 |
| 8 (C) | 136 |
| 9 (CH2) | 35.2 |
| 10 (CH2) | 27.6 |
| 11 (CH) | 69.8 |
| 12 (C) | 76.3 |
| 13 (CH2) | 30.5 |
| 14 (CH2) | 20.4 |
| 15 (C) | 74.3 |
| 16 (CH3) | 29.1 |
| 17 (CH3) | 30 |
| 18 (CH3) | 23.2 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 22.5 |
