Spektraris NMR
3-Acetyl-9, 7 (11)-dien-7α-hydroxy-8-oxoeremophilane
Common Name: 3-Acetyl-9, 7 (11)-dien-7α-hydroxy-8-oxoeremophilane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O4/c1-9(2)15-13(19)8-12-6-7-14(21-11(4)18)10(3)17(12,5)16(15)20/h8,10,14,16,20H,6-7H2,1-5H3/t10-,14+,16-,17+/m0/s1
InChIKey: InChIKey=NNGHEUBMPRTIIB-KYTKNBDNSA-N
Formula: C17H24O4
Molecular Weight: 292.370708
Exact Mass: 292.167459
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Huang, Y.F., Qiao, L., Lv, A.L., Pei, Y.H., Tian, L. Chin Chem Lett (2008) 19, 562-4
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 (CH2) | 31.2 |
| 2 (CH2) | 31.9 |
| 3 (CH) | 75.3 |
| 4 (CH) | 39.1 |
| 5 (C) | 47.2 |
| 6 (CH) | 72.8 |
| 7 (C) | 133.1 |
| 8 (C) | 194.4 |
| 9 (CH) | 121.9 |
| 10 (C) | 165.2 |
| 11 (C) | 147.4 |
| 12 (CH3) | 23.1 |
| 13 (CH3) | 21.9 |
| 14 (CH3) | 17.9 |
| 15 (CH3) | 10.2 |
| 3a (C) | 172.6 |
| 3b (CH3) | 21.1 |
