Spektraris NMR
Longirabdolide A
Common Name: Longirabdolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-11-12-6-13(23)15-19(5-3-4-18(2,9-22)14(19)8-21)10-26-17(25)20(15,7-12)16(11)24/h12-15,21-23H,1,3-10H2,2H3/t12-,13-,14-,15+,18-,19+,20+/m1/s1
InChIKey: InChIKey=MHWZCWHEJWEKPN-MGOAHOADSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Takeda, Y., Matsumoto, T., Otsuka, H. Phytochemistry (1994) 35, 1275-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 30.3 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 37 |
| 4 (C) | 39.2 |
| 5 (CH) | 45.4 |
| 6 (CH2) | 58.6 |
| 7 (C) | 172.2 |
| 8 (C) | 58.1 |
| 9 (CH) | 48.5 |
| 10 (C) | 44.3 |
| 11 (CH) | 65.2 |
| 12 (CH2) | 42.5 |
| 13 (CH) | 35.2 |
| 14 (CH2) | 30.4 |
| 15 (C) | 202.7 |
| 16 (C) | 151.4 |
| 17 (CH2) | 116.4 |
| 18 (CH2) | 71.5 |
| 19 (CH3) | 18.2 |
| 20 (CH2) | 70.8 |
