Spektraris NMR
12-Methoxyherbertene-1,2-diol
Common Name: 12-Methoxyherbertene-1,2-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O3/c1-15(2)6-5-7-16(15,3)12-8-11(10-19-4)9-13(17)14(12)18/h8-9,17-18H,5-7,10H2,1-4H3/t16-/m1/s1
InChIKey: InChIKey=WBWSSBOUYGDHAI-MRXNPFEDSA-N
Formula: C16H24O3
Molecular Weight: 264.360567
Exact Mass: 264.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Irita, H., Hashimoto, T., Fukuyama, Y., Asakawa, Y. Phytochemistry (2000) 55, 247-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Herbertanes; 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) | 143.8 |
| 2 (C) | 143.5 |
| 3 (CH) | 112.7 |
| 4 (C) | 127.4 |
| 5 (CH) | 121.8 |
| 6 (C) | 133.1 |
| 7 (C) | 51.2 |
| 8 (CH2) | 39.1 |
| 9 (CH2) | 20.3 |
| 10 (CH2) | 41 |
| 11 (C) | 44.9 |
| 12 (CH2) | 75.3 |
| 13 (CH3) | 22.7 |
| 14 (CH3) | 25.5 |
| 15 (CH3) | 26.9 |
| 12a (CH3) | 57.5 |
