Spektraris NMR
Putranjic acid
Common Name: Putranjic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-9-26(4)11-10-21-28(6,22(26)18-20(31)24(32)33)15-17-30(8)23-19-25(2,3)12-13-27(23,5)14-16-29(21,30)7/h20-23,31H,9-19H2,1-8H3,(H,32,33)/t20?,21-,22+,23+,26-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=OAQDBYFTFNIXJN-CRFZSLPVSA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Prakash O. , Roy R. , Garg H. S., Bhakuni D. S. Magn Reson Chem (1987) 25, 39
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 31.6 |
| 2 (CH) | 72.4 |
| 3 (C) | 179.5 |
| 4 (CH2) | 36.3 |
| 5 (C) | 39.6 |
| 6 (CH2) | 39.1 |
| 7 (CH2) | 18.3 |
| 8 (CH) | 52.9 |
| 9 (C) | 37 |
| 10 (CH) | 55.4 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 30.2 |
| 13 (C) | 38.4 |
| 14 (C) | 39.6 |
| 15 (CH2) | 32.4 |
| 16 (CH2) | 36.2 |
| 17 (C) | 30 |
| 18 (CH) | 43 |
| 19 (CH2) | 35.4 |
| 20 (C) | 28.2 |
| 21 (CH2) | 33 |
| 22 (CH2) | 39.3 |
| 23 (CH3) | 7.4 |
| 24 (CH3) | 19.3 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 20.2 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 31.9 |
| 29 (CH3) | 34.9 |
| 30 (CH3) | 32.2 |
