Spektraris NMR
Ent-verticilla-4,9,13-trien-2a-ol
Common Name: Ent-verticilla-4,9,13-trien-2a-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-15-7-6-8-16(2)11-13-20(21)14-12-17(3)18(10-9-15)19(20,4)5/h7,11-12,18,21H,6,8-10,13-14H2,1-5H3/b15-7+,16-11+/t18-,20+/m1/s1
InChIKey: InChIKey=JHQQXWKEOHDOAU-SZGOYFOPSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Kishi, K., Hamada, Y., Takaoka, S., Asakawa, Y. Phytochemistry (2005) 66, 1662-70
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) | 75.7 |
| 2 (CH2) | 42.7 |
| 3 (CH) | 123.1 |
| 4 (C) | 133.7 |
| 5 (CH2) | 40.4 |
| 6 (CH2) | 26.7 |
| 7 (CH) | 129.7 |
| 8 (C) | 132.9 |
| 9 (CH2) | 39.2 |
| 10 (CH2) | 21.6 |
| 11 (CH) | 40.5 |
| 12 (C) | 136.3 |
| 13 (CH) | 120.4 |
| 14 (CH2) | 40.4 |
| 15 (C) | 40.7 |
| 16 (CH3) | 21.1 |
| 17 (CH3) | 18.3 |
| 18 (CH3) | 23 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 15.3 |
