Spektraris NMR
3α-Ethoxyfuranocembranoid
Common Name: 3α-Ethoxyfuranocembranoid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O9/c1-7-31-25-11-16(14(2)3)8-9-18-21(32-15(4)26)20(33-22(18)27)13-24(5,29)12-17(34-25)10-19(25)23(28)30-6/h9-10,12,16,20-21,29H,2,7-8,11,13H2,1,3-6H3/b17-12-,18-9-/t16-,20+,21-,24-,25+/m0/s1
InChIKey: InChIKey=VXYATGADCLLSGH-NQSRYUGOSA-N
Formula: C25H32O9
Molecular Weight: 476.517146
Exact Mass: 476.204633
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Grote, D., Dahse, H.M., Seifert, K. Chem Biodivers (2008) 5, 2449-56
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) | 40.3 |
| 2 (CH2) | 38 |
| 3 (C) | 115.4 |
| 4 (C) | 130.2 |
| 5 (CH) | 139.3 |
| 6 (C) | 149.2 |
| 7 (CH) | 118.2 |
| 8 (C) | 69.6 |
| 9 (CH2) | 40.3 |
| 10 (CH) | 78.9 |
| 11 (CH) | 76.5 |
| 12 (C) | 127.5 |
| 13 (CH) | 147.1 |
| 14 (CH2) | 31.8 |
| 15 (C) | 147.6 |
| 16 (CH2) | 112 |
| 17 (CH3) | 17.9 |
| 18 (C) | 161.9 |
| 19 (CH3) | 31.1 |
| 20 (C) | 167.7 |
| 3a (CH2) | 57.6 |
| 3b (CH3) | 15.1 |
| 11a (C) | 170 |
| 11b (CH3) | 20.7 |
| 18a (CH3) | 51.3 |
