Spektraris NMR
Syspirensin B
Common Name: Syspirensin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O5/c1-14-10-18(25)20(13-24)16(12-23)4-3-5-17(20)19(14,2)8-6-15(11-22)7-9-21/h7,14,16-18,21-25H,3-6,8-13H2,1-2H3/b15-7+/t14-,16+,17-,18+,19+,20+/m1/s1
InChIKey: InChIKey=BKCZFESHWVQABG-BBUNTFPNSA-N
Formula: C20H36O5
Molecular Weight: 356.49761
Exact Mass: 356.256274
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Calis, I., Bedir, E., Wright, A.D., Sticher, O. J Nat Prod (1996) 59, 457-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 22.3 |
| 2 (CH2) | 28 |
| 3 (CH2) | 27.4 |
| 4 (CH) | 56.1 |
| 5 (C) | 47.4 |
| 6 (CH) | 81.2 |
| 7 (CH2) | 38.2 |
| 8 (CH) | 35.8 |
| 9 (C) | 39.5 |
| 10 (CH) | 50.6 |
| 11 (CH2) | 38.4 |
| 12 (CH2) | 29 |
| 13 (C) | 143.8 |
| 14 (CH) | 127.1 |
| 15 (CH2) | 58.7 |
| 16 (CH2) | 60.2 |
| 17 (CH3) | 16.1 |
| 18 (CH2) | 66.6 |
| 19 (CH2) | 62.3 |
| 20 (CH3) | 18.7 |
