Spektraris NMR
Flexibolide
Common Name: Flexibolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-12-5-6-16(22)19(3)10-8-17(24-19)20(4)9-7-14(11-15(12)21)13(2)18(23)25-20/h5,14-17,21-22H,2,6-11H2,1,3-4H3/b12-5+/t14-,15-,16-,17-,19+,20+/m0/s1
InChIKey: InChIKey=SCGKPOUJRGGFJA-RMRGCASOSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 39.2 |
| 2 (CH2) | 33.3 |
| 3 (CH2) | 33.7 |
| 4 (C) | 87.4 |
| 5 (CH) | 85.2 |
| 6 (CH2) | 30 |
| 7 (CH2) | 34.6 |
| 8 (C) | 85.1 |
| 9 (CH) | 77.8 |
| 10 (CH2) | 38 |
| 11 (CH) | 128 |
| 12 (C) | 134.8 |
| 13 (CH) | 76.8 |
| 14 (CH2) | 28 |
| 15 (C) | 146.8 |
| 16 (C) | 170.1 |
| 17 (CH2) | 123.8 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 30.2 |
| 20 (CH3) | 11.6 |
