Spektraris NMR
ent-3beta-Hydroxyspathulenol
Common Name: ent-3beta-Hydroxyspathulenol
Synonyms: ent-3beta-Hydroxyspathulenol
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-8-5-6-10-13(14(10,2)3)12-9(8)7-11(16)15(12,4)17/h9-13,16-17H,1,5-7H2,2-4H3/t9-,10+,11-,12+,13+,15-/m1/s1
InChIKey: InChIKey=SCSRZWQRMMSMSR-YZDFOLFKSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, H.J., Wu, C.L., Becker, H., Zapp, J. Phytochemistry (2000) 53, 845-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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 (CH) | 46.5 |
| 2 (CH2) | 34.4 |
| 3 (CH) | 78.2 |
| 4 (C) | 79 |
| 5 (CH) | 51.7 |
| 6 (CH) | 29.5 |
| 7 (CH) | 27.6 |
| 8 (CH2) | 24.8 |
| 9 (CH2) | 38.9 |
| 10 (C) | 152.7 |
| 11 (C) | 20.4 |
| 12 (CH3) | 28.6 |
| 13 (CH3) | 16.2 |
| 14 (CH2) | 106.7 |
| 15 (CH3) | 23.1 |
