Spektraris NMR
(16a)-ent-Atisan-16,17,19-triol
Common Name: (16a)-ent-Atisan-16,17,19-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(12-21)6-3-7-18(2)15(17)5-9-19-8-4-14(10-16(18)19)20(23,11-19)13-22/h14-16,21-23H,3-13H2,1-2H3/t14-,15+,16-,17-,18+,19+,20-/m0/s1
InChIKey: InChIKey=JPNCWGDSDCCJEU-MPIWTDJGSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Du, Z.Z., Zhao, P.J., He, H.P., Zhu, N., Hao, X.J., Shen, Y.M. Helv Chim Acta (2005) 88, 2424-9
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) | 40.6 |
| 2 (CH2) | 30 |
| 3 (CH2) | 36.4 |
| 4 (C) | 37.7 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 21 |
| 7 (CH2) | 42.9 |
| 8 (C) | 44.9 |
| 9 (CH) | 57.3 |
| 10 (C) | 39.5 |
| 11 (CH2) | 18.7 |
| 12 (CH) | 46.1 |
| 13 (CH2) | 37.9 |
| 14 (CH2) | 26.8 |
| 15 (CH2) | 54 |
| 16 (C) | 81.7 |
| 17 (CH2) | 66.5 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 70.1 |
| 20 (CH3) | 18.6 |
