Spektraris NMR
Platanic acid
Common Name: Platanic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=RVMPLOSJMIQORE-FUAAEJBOSA-N
Formula: C29H46O4
Molecular Weight: 458.674235
Exact Mass: 458.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Samoshina, N.F., Denisenko, M.V., Denisenko, V.A., Uvarova, N.I. Chem Nat Compd (2003) 39, 575-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 38.7 |
| 2 (CH2) | 34.2 |
| 3 (CH) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.2 |
| 8 (C) | 40.6 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 38.7 |
| 14 (C) | 42.3 |
| 15 (CH2) | 31.5 |
| 16 (CH2) | 28.3 |
| 17 (C) | 56.3 |
| 18 (CH) | 49.3 |
| 19 (CH) | 51.3 |
| 20 (C) | 212.4 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 37.2 |
| 23 (CH3) | 27.3 |
| 24 (CH3) | 18.3 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16 |
| 27 (CH3) | 15.4 |
| 28 (C) | 181.4 |
| 29 (CH3) | 30.2 |
