Spektraris NMR
Kalihipyran A
Common Name: Kalihipyran A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H31NO2/c1-14(2)20-8-6-16(12-24-20)17-9-10-21(4,22-13-23)19-7-5-15(3)11-18(17)19/h6,11,13,17-20H,1,5,7-10,12H2,2-4H3,(H,22,23)/t17-,18-,19+,20?,21+/m0/s1
InChIKey: InChIKey=WFPKOHOITURHCT-FYKRDEHLSA-N
Formula: C21H31N1O2
Molecular Weight: 329.47717
Exact Mass: 329.235479
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Okino, T., Yoshimura, E., Hirota, H., Fusetani, N. J Nat Prod (1996) 59, 1081-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Bifloranes; 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) | 22.7 |
| 2 (CH2) | 31 |
| 3 (C) | 134.9 |
| 4 (CH) | 122.7 |
| 5 (CH) | 39.1 |
| 6 (CH) | 45.2 |
| 7 (CH2) | 29.7 |
| 8 (CH2) | 41.9 |
| 9 (C) | 55.3 |
| 10 (CH) | 49 |
| 11 (C) | 138.7 |
| 12 (CH) | 120 |
| 13 (CH2) | 29.6 |
| 14 (CH) | 76.9 |
| 15 (C) | 145.4 |
| 16 (CH2) | 110.6 |
| 17 (CH3) | 23.3 |
| 18 (CH3) | 19 |
| 19 (CH2) | 67 |
| 20 (CH3) | 18.9 |
| 9a (CH) | 162.7 |
