Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-10-6-13(17)7-11(2)15(10)5-4-12(8-15)14(3,18)9-16/h6-7,12,16,18H,4-5,8-9H2,1-3H3/t12-,14?/m1/s1
InChIKey: InChIKey=JWSOTJCYVRGQGC-PUODRLBUSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Engstrom, K. Phytochemistry (1998) 49, 1585-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Spirovetivanes; 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) | 125.7 |
2 (C) | 186.5 |
3 (CH) | 125.9 |
4 (C) | 165.1 |
5 (C) | 52.2 |
6 (CH2) | 37.6 |
7 (CH) | 49.4 |
8 (CH2) | 28.9 |
9 (CH2) | 36.3 |
10 (C) | 164.4 |
11 (C) | 73.1 |
12 (CH2) | 69.7 |
13 (CH3) | 22.6 |
14 (CH3) | 20.7 |
15 (CH3) | 20.7 |