Spektraris NMR
Ent-verticilla-4(18),9,13-trien-12a-ol
Common Name: Ent-verticilla-4(18),9,13-trien-12a-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-14-6-12-18-15(2)8-10-17(20(18,4)5)11-9-16(3)19(21)13-7-14/h7,9,17-19,21H,2,6,8,10-13H2,1,3-5H3/b14-7+,16-9+/t17-,18+,19+/m0/s1
InChIKey: InChIKey=ZPONSJXVJQFQII-YMUHUBDOSA-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 (CH) | 45 |
| 2 (CH2) | 32.9 |
| 3 (CH) | 129.5 |
| 4 (C) | 134.8 |
| 5 (CH) | 80.4 |
| 6 (CH2) | 34.7 |
| 7 (CH) | 123.5 |
| 8 (C) | 135.6 |
| 9 (CH2) | 37.4 |
| 10 (CH2) | 20 |
| 11 (CH) | 42.5 |
| 12 (C) | 149 |
| 13 (CH2) | 36.1 |
| 14 (CH2) | 29.9 |
| 15 (C) | 37.7 |
| 16 (CH3) | 27.6 |
| 17 (CH3) | 24.3 |
| 18 (CH2) | 105.6 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 9.6 |
