Spektraris NMR
Pachyclavulariolide O
Common Name: Pachyclavulariolide O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12-6-5-7-13(2)16-8-9-20(4,24-16)18(21)11-15-14(3)19(22)23-17(15)10-12/h6,13,16-18,21H,5,7-11H2,1-4H3/b12-6-/t13-,16+,17+,18+,20-/m0/s1
InChIKey: InChIKey=OFDXQVMWNHHDDC-NLYUUXKGSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Wang, G.H., Duh, C.Y., Soong, K. J Nat Prod (2003) 66, 662-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 161.9 |
| 2 (CH) | 79.1 |
| 3 (CH2) | 44.3 |
| 4 (C) | 130.6 |
| 5 (CH) | 130.9 |
| 6 (CH2) | 25 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 40.1 |
| 9 (CH) | 85.2 |
| 10 (CH2) | 30.3 |
| 11 (CH2) | 36.8 |
| 12 (C) | 82.9 |
| 13 (CH) | 72.7 |
| 14 (CH2) | 26.5 |
| 15 (C) | 125.5 |
| 16 (C) | 170.1 |
| 17 (CH3) | 8.5 |
| 18 (CH3) | 20.7 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 20.5 |
