Spektraris NMR
isomadeiranyl acetate
Common Name: isomadeiranyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-20(2)32-17-12-21(3)27(32)31(9)16-13-23-24(30(31,8)18-19-32)10-11-25-28(5,6)26(34-22(4)33)14-15-29(23,25)7/h10,20-21,23,25-27H,11-19H2,1-9H3/t21-,23?,25?,26-,27-,29+,30+,31-,32+/m0/s1
InChIKey: InChIKey=ONLASPILZCERNQ-UJALBLRLSA-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) | 36.58 |
| 2 (CH2) | 24.15 |
| 3 (CH) | 81.09 |
| 4 (C) | 37.68 |
| 5 (CH) | 50.33 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 116.69 |
| 8 (C) | 145.43 |
| 9 (CH) | 48.37 |
| 10 (C) | 35.06 |
| 11 (CH2) | 16.77 |
| 12 (CH2) | 30.98 |
| 13 (C) | 36.95 |
| 14 (C) | 40.41 |
| 15 (CH2) | 35.17 |
| 16 (CH2) | 35.8 |
| 17 (C) | 46.7 |
| 18 (CH) | 56.52 |
| 19 (CH) | 35.06 |
| 20 (CH2) | 28.36 |
| 21 (CH2) | 22.07 |
| 22 (CH) | 33.51 |
| 23 (CH3) | 27.51 |
| 24 (CH3) | 15.82 |
| 25 (CH3) | 16.98 |
| 26 (CH3) | 25.26 |
| 27 (CH3) | 22.9 |
| 28 (CH3) | 13.08 |
| 29 (CH3) | 24.13 |
| 30 (CH3) | 17.33 |
| 3a (C) | 170.96 |
| 3b (CH3) | 21.31 |
