Spektraris NMR
b-Acetoxy-6a-hydroxy-11-oxoisobauerene
Common Name: b-Acetoxy-6a-hydroxy-11-oxoisobauerene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-18-10-12-29(6)14-15-31(8)21-16-22(34)27-28(4,5)24(36-20(3)33)11-13-30(27,7)25(21)23(35)17-32(31,9)26(29)19(18)2/h18-19,22,24,26-27,34H,10-17H2,1-9H3/t18-,19+,22+,24+,26-,27+,29-,30-,31-,32+/m1/s1
InChIKey: InChIKey=CXRAKVYKVUJFLI-DFBPRNKESA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vouffo, B., Krohn, K., Kouam, S.F., Hussain, H., Dongo, E., Meier, K., Schulz, B. Biochem Syst Ecol (2008) 36, 655-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Baueranes; 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) | 33.8 |
| 2 (CH2) | 24.2 |
| 3 (CH) | 80.4 |
| 4 (C) | 38.4 |
| 5 (CH) | 45.2 |
| 6 (CH) | 64.1 |
| 7 (CH2) | 29 |
| 8 (C) | 159.4 |
| 9 (C) | 142.2 |
| 10 (C) | 37.3 |
| 11 (C) | 199.4 |
| 12 (CH2) | 50.1 |
| 13 (C) | 39.2 |
| 14 (C) | 43.3 |
| 15 (CH2) | 26.1 |
| 16 (CH2) | 31.2 |
| 17 (C) | 31.9 |
| 18 (CH) | 52.6 |
| 19 (CH) | 35.3 |
| 20 (CH) | 31.7 |
| 21 (CH2) | 28.4 |
| 22 (CH2) | 37.1 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 25 |
| 27 (CH3) | 22.9 |
| 28 (CH3) | 37.4 |
| 29 (CH3) | 18.9 |
| 30 (CH3) | 22.3 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.2 |
