Spektraris NMR
ent-5-epi-verticillanediol
Common Name: ent-5-epi-verticillanediol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-15-7-6-8-16(2)11-12-20(22)14-13-19(5,21)17(10-9-15)18(20,3)4/h7,11,17,21-22H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,19-,20+/m1/s1
InChIKey: InChIKey=IFPFCKPDFVAGIT-CAXJHNKSSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Tamada, A., Fujii, N., Asakawa, Y. Phytochemistry (1997) 46, 1203-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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) | 77 |
| 2 (CH2) | 42.7 |
| 3 (CH) | 124.5 |
| 4 (C) | 134.5 |
| 5 (CH2) | 40.9 |
| 6 (CH2) | 26.6 |
| 7 (CH) | 129.7 |
| 8 (C) | 133 |
| 9 (CH2) | 40.1 |
| 10 (CH2) | 20.8 |
| 11 (CH) | 42.9 |
| 12 (C) | 73 |
| 13 (CH2) | 38.2 |
| 14 (CH2) | 35.4 |
| 15 (C) | 41.7 |
| 16 (CH3) | 21.2 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 31.8 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 15.4 |
