Spektraris NMR
Spiramilactone D
Common Name: Spiramilactone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-17-5-3-6-19(10-25-16(17)23)12(17)9-14(21)20-7-4-11(8-13(19)20)18(2,24)15(20)22/h11-15,21-22,24H,3-10H2,1-2H3/t11-,12+,13-,14+,15-,17+,18+,19-,20+/m0/s1
InChIKey: InChIKey=XKEGHAKHUOTXSY-IIWIEYMHSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 53.3 |
| 2 (CH2) | 42.8 |
| 3 (CH2) | 38.2 |
| 4 (C) | 47.2 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 23 |
| 7 (CH) | 82.2 |
| 8 (C) | 39.4 |
| 9 (CH) | 39.3 |
| 10 (C) | 34.4 |
| 11 (CH2) | 22 |
| 12 (CH) | 52.7 |
| 13 (CH2) | 21.1 |
| 14 (CH2) | 20.4 |
| 15 (CH) | 71 |
| 16 (C) | 70.3 |
| 17 (CH3) | 31 |
| 18 (CH3) | 27 |
| 19 (C) | 174.7 |
| 20 (CH2) | 76.3 |
