Spektraris NMR
07H239-A
Common Name: 07H239-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O6/c1-6-17(2)13-18(3)9-7-8-10-25(30)33-24-12-11-21(26(31)32)27(5)15-20(19(4)16-28)23(29)14-22(24)27/h7-10,14,16-18,20-21,24H,4,6,11-13,15H2,1-3,5H3,(H,31,32)/b9-7+,10-8+/t17?,18?,20-,21+,24+,27+/m0/s1
InChIKey: InChIKey=KFNRVRQZGWBRJR-XQLFHWRFSA-N
Formula: C27H36O6
Molecular Weight: 456.572166
Exact Mass: 456.251189
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - McDonald, L.A., Barbieri, L.R., Bernan, V.S., Janso, J., Lassota, P., Carter, G.T. J Nat Prod (2004) 67, 1565-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 73.7 |
| 2 (CH2) | 30.4 |
| 3 (CH2) | 21.1 |
| 4 (CH) | 53.9 |
| 5 (C) | 38.9 |
| 6 (CH2) | 43.9 |
| 7 (CH) | 44.5 |
| 8 (C) | 197.1 |
| 9 (CH) | 130 |
| 10 (C) | 160.3 |
| 11 (C) | 149.6 |
| 12 (CH) | 193.9 |
| 13 (CH2) | 136.8 |
| 14 (CH3) | 20 |
| 15 (C) | 174.1 |
| 1a (C) | 166 |
| 1b (CH) | 120 |
| 1c (CH) | 146.5 |
| 1d (CH) | 127.7 |
| 1e (CH) | 151.5 |
| 1f (CH) | 35.7 |
| 1g (CH2) | 44.6 |
| 1h (CH) | 32.8 |
| 1i (CH2) | 30.4 |
| 1j (CH3) | 11.5 |
| 1k (CH3) | 21.3 |
| 1l (CH3) | 19.2 |
