Spektraris NMR
Cespitularin P
Common Name: Cespitularin P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-13-6-7-15-8-9-17-18(20(15,3)4)21(24-5,25-19(17)23)12-14(2)11-16(22)10-13/h11,15-16,22H,1,6-10,12H2,2-5H3/b14-11+/t15-,16+,21-/m1/s1
InChIKey: InChIKey=PEIJBVSHZDEKRL-ZEJWHYPOSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Li, C.H., Wang, S.K., Dai, C.F. J Nat Prod (2006) 69, 1188-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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) | 44.1 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 29.8 |
| 4 (C) | 146 |
| 5 (CH2) | 43.8 |
| 6 (CH) | 68.5 |
| 7 (CH) | 135.9 |
| 8 (C) | 131.4 |
| 9 (CH2) | 46.7 |
| 10 (C) | 110.1 |
| 11 (C) | 168.4 |
| 12 (C) | 130.2 |
| 13 (CH2) | 32.2 |
| 14 (CH2) | 24.6 |
| 15 (C) | 37.6 |
| 16 (CH3) | 33.8 |
| 17 (CH3) | 24.5 |
| 18 (C) | 170.5 |
| 19 (CH3) | 17.2 |
| 20 (CH2) | 114.7 |
| 10a (CH3) | 50.9 |
