Spektraris NMR
Sclerophytin B
Common Name: Sclerophytin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O5/c1-12(2)15-8-7-13(3)18-16-11-22(6,25)17(26-14(4)23)9-10-21(5,24)20(27-16)19(15)18/h12,15-20,24-25H,3,7-11H2,1-2,4-6H3/t15-,16-,17+,18-,19-,20-,21-,22+/m1/s1
InChIKey: InChIKey=XYMLYCDDGGLBGR-KVZHUKPDSA-N
Formula: C22H36O5
Molecular Weight: 380.519082
Exact Mass: 380.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Friedrich, D., Paquette, L.A. J Nat Prod (2002) 65, 126-30
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 45.5 |
| 2 (CH) | 90.5 |
| 3 (C) | 74.8 |
| 4 (CH2) | 39.8 |
| 5 (CH2) | 28.1 |
| 6 (CH) | 85 |
| 7 (C) | 75.9 |
| 8 (CH2) | 45.5 |
| 9 (CH) | 78 |
| 10 (CH) | 53.2 |
| 11 (C) | 147.9 |
| 12 (CH2) | 31.9 |
| 13 (CH2) | 24.8 |
| 14 (CH) | 43.6 |
| 15 (CH3) | 30.2 |
| 16 (CH3) | 23.7 |
| 17 (CH2) | 109.2 |
| 18 (CH) | 29 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 21.9 |
| 6a (C) | 171.8 |
| 6b (CH3) | 21.5 |
