Spektraris NMR
Madeiranyl acetate
Common Name: Madeiranyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-20(2)32-18-10-21(3)27(32)31(9)16-12-24-29(7)17-14-26(34-22(4)33)28(5,6)23(29)11-15-30(24,8)25(31)13-19-32/h13,20-21,23-24,26-27H,10-12,14-19H2,1-9H3/t21-,23?,24?,26-,27-,29-,30+,31+,32+/m0/s1
InChIKey: InChIKey=YXDJJHAAULKVPG-BEJQCFSUSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lima, E.M., Medeiros, J.M., Davin, L.B. Phytochemistry (2003) 63, 421-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 37.35 |
| 2 (CH2) | 23.43 |
| 3 (CH) | 81 |
| 4 (C) | 38.97 |
| 5 (CH) | 55.49 |
| 6 (CH2) | 18.63 |
| 7 (CH2) | 32.25 |
| 8 (C) | 38.39 |
| 9 (CH) | 49.33 |
| 10 (C) | 37.81 |
| 11 (CH2) | 17.12 |
| 12 (CH2) | 38.5 |
| 13 (C) | 37.63 |
| 14 (C) | 157.29 |
| 15 (CH) | 118.2 |
| 16 (CH2) | 41.53 |
| 17 (C) | 50.13 |
| 18 (CH) | 63.4 |
| 19 (CH) | 34.36 |
| 20 (CH2) | 30.19 |
| 21 (CH2) | 33.32 |
| 22 (CH) | 33.99 |
| 23 (CH3) | 27.96 |
| 24 (CH3) | 16.59 |
| 25 (CH3) | 15.36 |
| 26 (CH3) | 16.67 |
| 27 (CH3) | 25.18 |
| 28 (CH3) | 18.99 |
| 29 (CH3) | 24.51 |
| 30 (CH3) | 19.47 |
| 3a (C) | 171 |
| 3b (CH3) | 21.33 |
