Spektraris NMR
8a-Hydroxy-10-deoxycyclomerrillianolide
Common Name: 8a-Hydroxy-10-deoxycyclomerrillianolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O7/c1-10-7-21-8(16)6-13-9(17)15(20,12(10,3)19)22-14(10,13)5-4-11(13,2)18/h9,17-20H,4-7H2,1-3H3/t9-,10-,11-,12+,13-,14-,15-/m0/s1
InChIKey: InChIKey=MZCABNVLPYZNLM-IAAUBURFSA-N
Formula: C15H22O7
Molecular Weight: 314.33157
Exact Mass: 314.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huang, J.M., Yang, C.S., Zhao, R., Takahashi, H., Fukuyama, Y. Chem Pharm Bull (2004) 52, 104-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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 (C) | 87.7 |
| 2 (CH2) | 38.8 |
| 3 (CH2) | 23.3 |
| 4 (C) | 93.9 |
| 5 (C) | 50.6 |
| 6 (C) | 77.7 |
| 7 (C) | 108.7 |
| 8 (CH) | 75.6 |
| 9 (C) | 57.7 |
| 10 (CH2) | 35.6 |
| 11 (C) | 171.1 |
| 12 (CH3) | 18.3 |
| 13 (CH3) | 17 |
| 14 (CH2) | 68.7 |
| 15 (CH3) | 24.2 |
