Spektraris NMR
ent-1b-Hydroxy-9(11),16-kauradien-15-one
Common Name: ent-1b-Hydroxy-9(11),16-kauradien-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-12-13-5-6-15-19(4)14(18(2,3)9-8-16(19)21)7-10-20(15,11-13)17(12)22/h6,13-14,16,21H,1,5,7-11H2,2-4H3/t13-,14-,16+,19-,20-/m1/s1
InChIKey: InChIKey=IOZJOYCLUFVWGD-NTNYXWSSSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Kasai, W., Kondoh, M., Fujii, M., Watanabe, Y., Braggins, J.E., Asakawa, Y. Chem Pharm Bull (2003) 51, 1189-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 78.5 |
| 2 (CH2) | 28.9 |
| 3 (CH2) | 39.72 |
| 4 (C) | 33.3 |
| 5 (CH) | 43.2 |
| 6 (CH2) | 18 |
| 7 (CH2) | 24.3 |
| 8 (C) | 50 |
| 9 (C) | 149 |
| 10 (C) | 44.7 |
| 11 (CH) | 120.3 |
| 12 (CH2) | 36.4 |
| 13 (CH) | 36.7 |
| 14 (CH2) | 39.67 |
| 15 (C) | 203.9 |
| 16 (C) | 151.9 |
| 17 (CH2) | 115.3 |
| 18 (CH3) | 31.9 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 17.5 |
