Spektraris NMR
(2R,4S)-p-Menthane-1(7)-ene-2,8-diol 8-acetate
Common Name: (2R,4S)-p-Menthane-1(7)-ene-2,8-diol 8-acetate
Synonyms: (2R,4S)-p-Menthane-1(7)-ene-2,8-diol 8-acetate
CAS Registry Number:
InChI: InChI=1S/C12H20O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h10-11,14H,1,5-7H2,2-4H3/t10-,11+/m0/s1
InChIKey: InChIKey=XPTRDRYOOILSNZ-WDEREUQCSA-N
Formula: C12H20O3
Molecular Weight: 212.285861
Exact Mass: 212.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngo, K.S., Wong, W.T., Brown, G.D. J Nat Prod (1999) 62, 549-53
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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) | 149.6 |
| 2 (CH) | 72.3 |
| 3 (CH2) | 34.6 |
| 4 (CH) | 39.8 |
| 5 (CH2) | 28.1 |
| 6 (CH2) | 29.7 |
| 7 (CH2) | 110.1 |
| 8 (C) | 84.3 |
| 9 (CH3) | 23.5 |
| 10 (CH3) | 23.2 |
| 8a (C) | 170.2 |
| 8b (CH3) | 23.1 |
