Spektraris NMR
Neruosanin A
Common Name: Neruosanin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O6/c1-18(2)7-6-14(22)19-10-27-21(25,17(24)15(18)19)20-8-11(4-5-13(19)20)12(9-26-3)16(20)23/h11-15,17,22,24-25H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,17+,19-,20+,21-/m1/s1
InChIKey: InChIKey=NHFCLVQJGBUOLF-IDXPHPLOSA-N
Formula: C21H32O6
Molecular Weight: 380.475988
Exact Mass: 380.219889
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Hu, H.P., Wang, H.P., Wang, S.Q., Ueda, S., Fujita, T. Phytochemistry (1994) 37, 1367-70
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 (CH) | 74.8 |
| 2 (CH2) | 28.8 |
| 3 (CH2) | 39.5 |
| 4 (C) | 34.7 |
| 5 (CH) | 62.2 |
| 6 (CH) | 73.1 |
| 7 (C) | 95.7 |
| 8 (C) | 61.3 |
| 9 (CH) | 52.1 |
| 10 (C) | 41.5 |
| 11 (CH2) | 19.9 |
| 12 (CH2) | 20 |
| 13 (CH) | 29.8 |
| 14 (CH2) | 30.4 |
| 15 (C) | 224.3 |
| 16 (CH) | 57.5 |
| 17 (CH2) | 69 |
| 18 (CH3) | 33 |
| 19 (CH3) | 21.9 |
| 20 (CH2) | 64 |
| 17a (CH3) | 58.6 |
