Spektraris NMR
Spiramilactone C
Common Name: Spiramilactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11-12-4-7-20(16(11)22)14(8-12)19-6-3-5-18(2,17(23)24-10-19)13(19)9-15(20)21/h12-16,21-22H,1,3-10H2,2H3/t12-,13+,14-,15+,16-,18+,19-,20+/m0/s1
InChIKey: InChIKey=YCDLVBJHTHGAOX-AFQJYMIFSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hao, X.J., Nie, J.L. Phytochemistry (1998) 48, 1213-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) | 40.1 |
| 2 (CH2) | 20.8 |
| 3 (CH2) | 39.9 |
| 4 (C) | 42.6 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 15.3 |
| 7 (CH) | 81.1 |
| 8 (C) | 41.8 |
| 9 (CH) | 44.8 |
| 10 (C) | 36.6 |
| 11 (CH2) | 29 |
| 12 (CH) | 36.2 |
| 13 (CH2) | 28.3 |
| 14 (CH2) | 26.8 |
| 15 (CH) | 77.4 |
| 16 (C) | 155.4 |
| 17 (CH2) | 109.9 |
| 18 (CH3) | 23.6 |
| 19 (C) | 175.7 |
| 20 (CH2) | 74.1 |
