Spektraris NMR
Psammocinin A1
Common Name: Psammocinin A1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O4/c1-18(8-6-10-22-13-14-28-17-22)7-5-9-20(3)24(26)12-11-19(2)15-23-16-21(4)25(27)29-23/h8-9,13-17,19H,5-7,10-12H2,1-4H3/b18-8+,20-9+,23-15-/t19-/m1/s1
InChIKey: InChIKey=BEQGJLVJAVYVFJ-OJOBNHNESA-N
Formula: C25H32O4
Molecular Weight: 396.520121
Exact Mass: 396.23006
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Choi, K., Hong, J., Lee, C.O., Kim, D.K., Sim, C.J., Im, K.S., Jung, J.H. J Nat Prod (2004) 67, 1186-9
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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) | 143.8 |
| 2 (CH) | 111.9 |
| 3 (C) | 125.9 |
| 4 (CH) | 140 |
| 5 (CH2) | 25.9 |
| 6 (CH2) | 29.4 |
| 7 (CH) | 126 |
| 8 (C) | 135.7 |
| 9 (CH3) | 15.9 |
| 10 (CH2) | 39.2 |
| 11 (CH2) | 28.3 |
| 12 (CH) | 144.4 |
| 13 (C) | 138 |
| 14 (CH3) | 11.5 |
| 15 (C) | 203.9 |
| 16 (CH2) | 35.8 |
| 17 (CH2) | 33.2 |
| 18 (CH) | 32.4 |
| 19 (CH3) | 21.1 |
| 20 (CH) | 120.6 |
| 21 (C) | 148.8 |
| 22 (CH) | 139.7 |
| 23 (C) | 130.1 |
| 24 (C) | 172.3 |
| 25 (CH3) | 11.4 |
