Spektraris NMR
ent-1b-Acetoxy-9(11),16-kauradien-15-one
Common Name: ent-1b-Acetoxy-9(11),16-kauradien-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O3/c1-13-15-6-7-17-21(5)16(8-11-22(17,12-15)19(13)24)20(3,4)10-9-18(21)25-14(2)23/h7,15-16,18H,1,6,8-12H2,2-5H3/t15-,16-,18+,21-,22-/m1/s1
InChIKey: InChIKey=MMSIZBWKFHVSIG-AQIMHHIRSA-N
Formula: C22H30O3
Molecular Weight: 342.472627
Exact Mass: 342.219495
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) | 81.8 |
| 2 (CH2) | 25 |
| 3 (CH2) | 39.2 |
| 4 (C) | 33.2 |
| 5 (CH) | 43.5 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 24.2 |
| 8 (C) | 50 |
| 9 (C) | 148.6 |
| 10 (C) | 43.3 |
| 11 (CH) | 119.1 |
| 12 (CH2) | 36.5 |
| 13 (CH) | 36.5 |
| 14 (CH2) | 39.7 |
| 15 (C) | 203.6 |
| 16 (C) | 151.4 |
| 17 (CH2) | 115.9 |
| 18 (CH3) | 31.9 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 18.8 |
| 1a (C) | 170.4 |
| 1b (CH3) | 21.9 |
