Spektraris NMR
ent-16a,17-Dihydroxyatis-13-en-11-one
Common Name: ent-16a,17-Dihydroxyatis-13-en-11-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-17(2)7-4-8-18(3)14(17)6-10-19-9-5-13(15(22)16(18)19)20(23,11-19)12-21/h5,9,13-14,16,21,23H,4,6-8,10-12H2,1-3H3/t13-,14+,16-,18+,19+,20+/m0/s1
InChIKey: InChIKey=SNNKSASSJUFJEJ-HRVIXEDQSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Parra, A., Arias, J.M. J Nat Prod (1997) 60, 86-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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 (CH2) | 39.9 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.4 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 36.8 |
| 8 (C) | 39.7 |
| 9 (CH) | 58.5 |
| 10 (C) | 41.7 |
| 11 (C) | 211.6 |
| 12 (CH) | 61.3 |
| 13 (CH) | 122.9 |
| 14 (CH) | 141.9 |
| 15 (CH2) | 47.5 |
| 16 (C) | 77 |
| 17 (CH2) | 67.8 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 17.5 |
