Spektraris NMR
ent-3-oxoatisane-16a,17-dial
Common Name: ent-3-oxoatisane-16a,17-dial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-18(2)6-4-7-19(3)13(18)5-8-20(24)14(19)9-12-15(16(20)22)11(10-21)17(23)25-12/h9,13-14,16,21-22,24H,4-8,10H2,1-3H3/t13-,14+,16-,19-,20-/m1/s1
InChIKey: InChIKey=AJEHFJUQBMCCBA-UFHWLQSSSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Satti, N.K., Suri, K.A., Suri, O.P., Skibicki, P., Daniewski, W.M. Phytochemistry (1994) 35, 1061-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 41.5 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 41.9 |
| 4 (C) | 34.3 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 43.1 |
| 8 (C) | 72.7 |
| 9 (CH) | 60.7 |
| 10 (C) | 49.3 |
| 11 (CH) | 110.8 |
| 12 (C) | 151.8 |
| 13 (C) | 150.1 |
| 14 (CH) | 70.6 |
| 15 (C) | 127.7 |
| 16 (C) | 171.6 |
| 17 (CH2) | 55.3 |
| 18 (CH3) | 34.1 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 17.4 |
