Spektraris NMR
ent-11b-Acetoxy-3b,16a,17-trihydroxyatis-13-ene
Common Name: ent-11b-Acetoxy-3b,16a,17-trihydroxyatis-13-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-13(24)27-17-14-5-9-21(11-22(14,26)12-23)10-6-15-19(2,3)16(25)7-8-20(15,4)18(17)21/h5,9,14-18,23,25-26H,6-8,10-12H2,1-4H3/t14-,15+,16+,17+,18-,20+,21+,22+/m0/s1
InChIKey: InChIKey=IBEZQCKWJFBZHI-MUAXSHTNSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
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) | 38.6 |
| 2 (CH2) | 27 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 36.6 |
| 8 (C) | 39.1 |
| 9 (CH) | 58.9 |
| 10 (C) | 39.9 |
| 11 (CH) | 73.8 |
| 12 (CH) | 44.2 |
| 13 (CH) | 127.8 |
| 14 (CH) | 139.6 |
| 15 (CH2) | 48.2 |
| 16 (C) | 75.6 |
| 17 (CH2) | 69.2 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 17.3 |
| 20 (CH3) | 15.6 |
| 11a (C) | 171 |
| 11b (CH3) | 21.9 |
