Spektraris NMR
ent-6a,16a,17-Trihydroxyatis-13-en-11-one
Common Name: ent-6a,16a,17-Trihydroxyatis-13-en-11-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-17(2)6-4-7-18(3)15(17)13(22)9-19-8-5-12(14(23)16(18)19)20(24,10-19)11-21/h5,8,12-13,15-16,21-22,24H,4,6-7,9-11H2,1-3H3/t12-,13+,15+,16-,18+,19+,20+/m0/s1
InChIKey: InChIKey=PGTBYIMVHWSIDL-LXTITXCFSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
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) | 39.5 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 43.9 |
| 4 (C) | 33.8 |
| 5 (CH) | 58.8 |
| 6 (CH) | 68 |
| 7 (CH2) | 47.7 |
| 8 (C) | 41.7 |
| 9 (CH) | 60.4 |
| 10 (C) | 41.6 |
| 11 (C) | 209.1 |
| 12 (CH) | 60.2 |
| 13 (CH) | 123.1 |
| 14 (CH) | 141.7 |
| 15 (CH2) | 47.5 |
| 16 (C) | 76.4 |
| 17 (CH2) | 67.6 |
| 18 (CH3) | 37.2 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 18.6 |
