Spektraris NMR
Plectrornatin A
Common Name: Plectrornatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O5/c1-14(11-21(26)27-7)10-20(28-17(4)24)23(6)15(2)8-9-22(5)16(3)12-18(25)13-19(22)23/h11-12,15,19-20H,8-10,13H2,1-7H3/b14-11+/t15-,19+,20-,22+,23+/m1/s1
InChIKey: InChIKey=DFFCAAPJUPLECN-XOHWVXQESA-N
Formula: C23H34O5
Molecular Weight: 390.513936
Exact Mass: 390.240624
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 : 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) | 36 |
| 2 (C) | 199 |
| 3 (CH) | 125.6 |
| 4 (C) | 171.9 |
| 5 (C) | 40.1 |
| 6 (CH2) | 35.5 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 36.2 |
| 9 (C) | 43.4 |
| 10 (CH) | 46 |
| 11 (CH) | 74.5 |
| 12 (CH2) | 41.7 |
| 13 (C) | 155.9 |
| 14 (CH) | 118.4 |
| 15 (C) | 166.4 |
| 16 (CH3) | 18.8 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 19 |
| 19 (CH3) | 18.7 |
| 20 (CH3) | 12.2 |
| 11a (C) | 50.9 |
| 11b (CH3) | 170.3 |
| 15a (CH3) | 20.7 |
