Spektraris NMR
Flexibolide Diacetate
Common Name: Flexibolide Diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O7/c1-14-7-8-20(29-17(4)26)23(5)12-10-21(30-23)24(6)11-9-18(15(2)22(27)31-24)13-19(14)28-16(3)25/h7,18-21H,2,8-13H2,1,3-6H3/b14-7+/t18-,19-,20-,21-,23+,24+/m0/s1
InChIKey: InChIKey=UHGNSQLYXAMNKL-SUTWUSCZSA-N
Formula: C24H34O7
Molecular Weight: 434.523482
Exact Mass: 434.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S.R., Sagar, K.S., Rao, G.V. J Nat Prod (1997) 60, 9-12
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 (CH) | 34.7 |
| 2 (CH2) | 33.2 |
| 3 (CH2) | 33.6 |
| 4 (C) | 88.2 |
| 5 (CH) | 83.8 |
| 6 (CH2) | 29.8 |
| 7 (CH2) | 34.9 |
| 8 (C) | 85.4 |
| 9 (CH) | 77.7 |
| 10 (CH2) | 36.6 |
| 11 (CH) | 126.2 |
| 12 (C) | 132.8 |
| 13 (CH) | 78.3 |
| 14 (CH2) | 27.5 |
| 15 (C) | 145.5 |
| 16 (C) | 170.2 |
| 17 (CH2) | 123.6 |
| 18 (CH3) | 16.7 |
| 19 (CH3) | 29.5 |
| 20 (CH3) | 11.4 |
| 9a (C) | 171.4 |
| 9b (CH3) | 21.1 |
| 13a (C) | 170.2 |
| 13b (CH3) | 21.2 |
