Spektraris NMR
1,4-Peroxy-5-hydroxy-muurol-6-ene
Common Name: 1,4-Peroxy-5-hydroxy-muurol-6-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9(2)11-6-5-10(3)15-8-7-14(4,17-18-15)13(16)12(11)15/h9-10,13,16H,5-8H2,1-4H3/t10-,13+,14-,15+/m1/s1
InChIKey: InChIKey=KRTWJWBZDCMPKS-KAOXEZKKSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
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 : Sesquiterpenoids, Group : Muurolanes; 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) | 78.8 |
| 2 (CH2) | 25 |
| 3 (CH2) | 24.8 |
| 4 (C) | 78.2 |
| 5 (CH) | 70.2 |
| 6 (C) | 130.2 |
| 7 (C) | 145.7 |
| 8 (CH2) | 21.6 |
| 9 (CH2) | 27.5 |
| 10 (CH) | 33.8 |
| 11 (CH) | 29.7 |
| 12 (CH3) | 21.4 |
| 13 (CH3) | 20.4 |
| 14 (CH3) | 21.2 |
| 15 (CH3) | 15 |
