Spektraris NMR
Ent-20-acetoxy-11a-hydoxy-16-kauren-15-one
Common Name: Ent-20-acetoxy-11a-hydoxy-16-kauren-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-13-15-10-16(24)18-21(11-15,19(13)25)9-6-17-20(3,4)7-5-8-22(17,18)12-26-14(2)23/h15-18,24H,1,5-12H2,2-4H3/t15-,16+,17-,18-,21-,22+/m1/s1
InChIKey: InChIKey=STKATYQLPUCIPH-IZULFBDQSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Kondoh, M., Uematsu, T., Nishiyama, A., Saito, S., Sato, M., Asakawa, Y. Chem Pharm Bull (2002) 50, 808-13
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 (CH2) | 34.3 |
| 2 (CH2) | 18 |
| 3 (CH2) | 41.3 |
| 4 (C) | 33 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.6 |
| 8 (C) | 50.1 |
| 9 (CH) | 63.9 |
| 10 (C) | 41.4 |
| 11 (CH) | 66 |
| 12 (CH2) | 39.9 |
| 13 (CH) | 36.8 |
| 14 (CH2) | 37.8 |
| 15 (C) | 209.4 |
| 16 (C) | 150 |
| 17 (CH2) | 113.1 |
| 18 (CH3) | 34 |
| 19 (CH3) | 22.4 |
| 20 (CH2) | 63.2 |
| 20a (C) | 170.7 |
| 20b (CH3) | 21.1 |
