Spektraris NMR
Bauerenyl acetate
Common Name: Bauerenyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3/t20-,21+,23+,25+,26+,27-,29-,30-,31-,32+/m1/s1
InChIKey: InChIKey=DTHUXXMWYWKQKX-QXZXTIJDSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Farias A.C.M.D., Silva A.J.R.D., Tomassini T.C.B. J Nat Prod (1984) 47, 363
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) | 37.9 |
| 2 (CH2) | 24.1 |
| 3 (CH) | 81.3 |
| 4 (C) | 36.8 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 116.5 |
| 8 (C) | 145.6 |
| 9 (CH) | 55.3 |
| 10 (C) | 35.3 |
| 11 (CH2) | 29.4 |
| 12 (CH2) | 29.7 |
| 13 (C) | 32.2 |
| 14 (C) | 41.4 |
| 15 (CH2) | 17 |
| 16 (CH2) | 32.7 |
| 17 (C) | 31.7 |
| 18 (CH) | 48.7 |
| 19 (CH) | 35.6 |
| 20 (CH) | 38 |
| 21 (CH2) | 29.1 |
| 22 (CH2) | 37.9 |
| 23 (CH3) | 15.5 |
| 24 (CH3) | 27.6 |
| 25 (CH3) | 13.1 |
| 26 (CH3) | 22.7 |
| 27 (CH3) | 22.5 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 23.7 |
| 30 (CH3) | 21.1 |
| 3a (C) | 170.7 |
| 3b (CH3) | 21.1 |
