Common Name: Valerenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8,11,13-14,16H,4-7,9H2,1-3H3/b10-8+/t11-,13+,14+/m1/s1
InChIKey: InChIKey=KIQXKOUFPHTUQS-VTBYEZFWSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bos, R., Hendriks, H., Brunins, A.P., Kloosterman, J., Sipma, G. Phytochemistry (1986) 25, 133-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Valerenanes; 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)
Position | PPM |
---|---|
1 (CH) | 47.4 |
2 (CH2) | 24.6 |
3 (CH2) | 37.5 |
4 (C) | 129.1 |
5 (C) | 133.1 |
6 (CH) | 33.4 |
7 (CH) | 127.6 |
8 (CH2) | 26.2 |
9 (CH2) | 28.7 |
10 (CH) | 33.2 |
11 (C) | 135.2 |
12 (CH3) | 13.7 |
13 (CH2) | 69.2 |
14 (CH3) | 13.4 |
15 (CH3) | 12.1 |