Spektraris NMR
3b-Acetoxy-6a,8a-dihydroxyeremophil-7(11),9-dien-12,8-olide
Common Name: 3b-Acetoxy-6a,8a-dihydroxyeremophil-7(11),9-dien-12,8-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O6/c1-8-13-14(19)16(4)9(2)12(22-10(3)18)6-5-11(16)7-17(13,21)23-15(8)20/h7,9,12,14,19,21H,5-6H2,1-4H3/t9-,12-,14-,16+,17+/m0/s1
InChIKey: InChIKey=OJDADABQNKVZRW-QNJWYZLHSA-N
Formula: C17H22O6
Molecular Weight: 322.353636
Exact Mass: 322.141638
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xu, J.Q., Li, Y.S., Li, Y.M., Jiang, S.H., Tan, C.H., Zhu, D.Y. Planta Med (2006) 72, 567-9
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) | 28.9 |
| 2 (CH2) | 32.6 |
| 3 (CH) | 76.9 |
| 4 (CH) | 47.5 |
| 5 (C) | 52.3 |
| 6 (CH) | 77.6 |
| 7 (C) | 162.2 |
| 8 (C) | 103 |
| 9 (CH) | 120.8 |
| 10 (C) | 152 |
| 11 (C) | 124 |
| 12 (C) | 174.7 |
| 13 (CH3) | 9.1 |
| 14 (CH3) | 15.4 |
| 15 (CH3) | 15.5 |
| 3a (C) | 173 |
| 3b (CH3) | 21.6 |
