Spektraris NMR
Furanocembranoid 3
Common Name: Furanocembranoid 3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-14(2)16-6-5-15-11-17(24-13-15)12-20(4,23)18(21)8-10-19(3,22)9-7-16/h7,9,11,13-14,16,18,21-23H,5-6,8,10,12H2,1-4H3/b9-7+/t16-,18-,19-,20?/m1/s1
InChIKey: InChIKey=HJQCZCWDLYWBEP-KQKNVYCRSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pudhom, K., Vilaivan, T., Ngamrojanavanich, N., Dechangvipart, S., Sommit, D., Petsom, A., Roengsumran, S. J Nat Prod (2007) 70, 659-61
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) | 47.3 |
| 2 (CH) | 132.2 |
| 3 (CH) | 134.3 |
| 4 (C) | 80.8 |
| 5 (CH2) | 35 |
| 6 (CH2) | 25.8 |
| 7 (CH) | 74.3 |
| 8 (C) | 79 |
| 9 (CH2) | 40.3 |
| 10 (C) | 153 |
| 11 (CH) | 112.4 |
| 12 (C) | 125.1 |
| 13 (CH2) | 24.7 |
| 14 (CH2) | 29.9 |
| 15 (CH) | 33.6 |
| 16 (CH3) | 19 |
| 17 (CH3) | 19.6 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 20.5 |
| 20 (CH) | 137.7 |
