Spektraris NMR
Furanocembranoid 4
Common Name: Furanocembranoid 4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-13(2)14-5-6-15-11-16(25-18(15)22)12-20(4,24)17(21)8-10-19(3,23)9-7-14/h7,9,11,13-14,16-17,21,23-24H,5-6,8,10,12H2,1-4H3/b9-7+/t14-,16-,17-,19-,20?/m1/s1
InChIKey: InChIKey=ZXUDZQNLOBXDTI-DQUZPQRISA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
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) | 51.8 |
| 2 (CH) | 134.1 |
| 3 (CH) | 137.1 |
| 4 (C) | 81.8 |
| 5 (CH2) | 38 |
| 6 (CH2) | 26.1 |
| 7 (CH) | 79.4 |
| 8 (C) | 74.4 |
| 9 (CH2) | 39.1 |
| 10 (CH) | 80.4 |
| 11 (CH) | 150.2 |
| 12 (C) | 133.4 |
| 13 (CH2) | 24.9 |
| 14 (CH2) | 27.7 |
| 15 (CH) | 32.3 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 20.9 |
| 18 (CH3) | 29.4 |
| 19 (CH3) | 21.8 |
| 20 (C) | 173.9 |
