Spektraris NMR
Putranjivic acid
Common Name: Putranjivic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-9-26(4)13-12-22-28(6,21(26)10-11-24(31)32)17-19-30(8)23-20-25(2,3)14-15-27(23,5)16-18-29(22,30)7/h9,21-23H,1,10-20H2,2-8H3,(H,31,32)/t21-,22+,23-,26+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=RLBWCQXLSQFXJK-RKIYCPPPSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Leong, Y.W., Harrison, L.J. Phytochemistry (1999) 50, 849-57
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) | 21.2 |
| 2 (CH2) | 41.6 |
| 3 (C) | 179.5 |
| 4 (CH) | 151 |
| 5 (C) | 42.1 |
| 6 (CH2) | 37.2 |
| 7 (CH2) | 18 |
| 8 (CH) | 53.1 |
| 9 (C) | 38.4 |
| 10 (CH) | 58.3 |
| 11 (CH2) | 35.26 |
| 12 (CH2) | 30.3 |
| 13 (C) | 39.7 |
| 14 (C) | 38.7 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 36.1 |
| 17 (C) | 30 |
| 18 (CH) | 42.9 |
| 19 (CH2) | 35.34 |
| 20 (C) | 28.2 |
| 21 (CH2) | 32.9 |
| 22 (CH2) | 39.3 |
| 23 (CH2) | 111 |
| 24 (CH3) | 18 |
| 25 (CH3) | 18.2 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 20.2 |
| 28 (CH3) | 31.9 |
| 29 (CH3) | 32.1 |
| 30 (CH3) | 35 |
