Spektraris NMR
ent-17-Acetoxy-3b,16a-dihydroxyatis-13-en-11-one
Common Name: ent-17-Acetoxy-3b,16a-dihydroxyatis-13-en-11-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-13(23)27-12-22(26)11-21-9-5-14(22)17(25)18(21)20(4)8-7-16(24)19(2,3)15(20)6-10-21/h5,9,14-16,18,24,26H,6-8,10-12H2,1-4H3/t14-,15+,16+,18-,20+,21+,22+/m0/s1
InChIKey: InChIKey=YVMCYPBDKXTQOK-UFYHFDPASA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
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) | 37.7 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78.6 |
| 4 (C) | 39.1 |
| 5 (CH) | 54.5 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 36.6 |
| 8 (C) | 39.3 |
| 9 (CH) | 59 |
| 10 (C) | 41.2 |
| 11 (C) | 210 |
| 12 (CH) | 60.7 |
| 13 (CH) | 122.9 |
| 14 (CH) | 141.9 |
| 15 (CH2) | 47.3 |
| 16 (C) | 75.5 |
| 17 (CH2) | 68.8 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 17.3 |
| 20 (CH3) | 15.6 |
| 17a (C) | 170.9 |
| 17b (CH3) | 20.9 |
