Spektraris NMR
Bonducellpins C Acetate
Common Name: Bonducellpins C Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O8/c1-13(26)32-18-12-25(29)23(3,4)9-7-19(33-14(2)27)24(25,5)16-11-17-15(8-10-31-17)20(21(16)18)22(28)30-6/h8,10,16,18-21,29H,7,9,11-12H2,1-6H3/t16-,18-,19-,20+,21-,24-,25+/m0/s1
InChIKey: InChIKey=VWWBNOKRESJKKB-QKLQQXTASA-N
Formula: C25H34O8
Molecular Weight: 462.533622
Exact Mass: 462.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Peter, S.R., Tinto, W.F., McLean, S., Reynolds, W.F., Yu, M. J Nat Prod (1997) 60, 1219-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 75.4 |
| 2 (CH2) | 22.4 |
| 3 (CH2) | 29.9 |
| 4 (C) | 38.4 |
| 5 (C) | 78.3 |
| 6 (CH2) | 32 |
| 7 (CH) | 76 |
| 8 (CH) | 38.9 |
| 9 (CH) | 36.6 |
| 10 (C) | 43.5 |
| 11 (CH2) | 21.3 |
| 12 (C) | 149.8 |
| 13 (C) | 113.3 |
| 14 (CH) | 45.9 |
| 15 (CH) | 108.3 |
| 16 (CH) | 141.5 |
| 17 (C) | 174.6 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 24.9 |
| 20 (CH3) | 17.6 |
| 1a (C) | 169 |
| 1b (CH3) | 21.4 |
| 7a (C) | 170.1 |
| 7b (CH3) | 21.1 |
| 17a (CH3) | 51.9 |
