Spektraris NMR
Plectrornatin B
Common Name: Plectrornatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-8-20(5)11-14(24)17-21(6,27-20)12-15(26-13(2)23)18-19(3,4)10-9-16(25)22(17,18)7/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17+,18+,20+,21-,22-/m1/s1
InChIKey: InChIKey=WGDVDWPPNILGMG-GJLUKNDPSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rijo, P., Gaspar-Marques, C., Simoes, M.F., Duarte, A., Del Carmen Apreda-Rojas, M., Cano, F.H., Rodriguez, B. J Nat Prod (2002) 65, 1387-90
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 71.3 |
| 2 (CH2) | 25.5 |
| 3 (CH2) | 36.4 |
| 4 (C) | 33.8 |
| 5 (CH) | 47.8 |
| 6 (CH) | 70.1 |
| 7 (CH2) | 46.3 |
| 8 (C) | 76.2 |
| 9 (CH) | 58.9 |
| 10 (C) | 41.8 |
| 11 (C) | 208.3 |
| 12 (CH2) | 49.8 |
| 13 (C) | 74.7 |
| 14 (CH) | 146.2 |
| 15 (CH2) | 112.2 |
| 16 (CH3) | 31.3 |
| 17 (CH3) | 29.4 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 22.8 |
| 20 (CH3) | 18 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.8 |
