Spektraris NMR
Jacquinonic acid
Common Name: Jacquinonic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-24(2)18-7-11-27(5)19(26(18,4)10-9-21(24)31)8-12-30-20-15-25(3,23(33)34)13-14-29(20,17-35-30)22(32)16-28(27,30)6/h9-10,18-20,22,32H,7-8,11-17H2,1-6H3,(H,33,34)/t18-,19+,20+,22+,25-,26-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=QFBDMPDASSOSPB-IQGQHFOASA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Okumade A.L., Wiemer D.F. Phytochemistry (1985) 24, 1203
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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 (CH) | 160 |
| 2 (CH) | 125 |
| 3 (C) | 205.6 |
| 4 (C) | 44.7 |
| 5 (CH) | 53.3 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 35.2 |
| 8 (C) | 39.3 |
| 9 (CH) | 44.1 |
| 10 (C) | 42.9 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 36.8 |
| 13 (C) | 86.6 |
| 14 (C) | 43.5 |
| 15 (CH2) | 36.7 |
| 16 (CH) | 77.3 |
| 17 (C) | 45.1 |
| 18 (CH) | 52.6 |
| 19 (CH2) | 32.7 |
| 20 (C) | 44.2 |
| 21 (CH2) | 33.5 |
| 22 (CH2) | 31.9 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 18.9 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 18.4 |
| 28 (CH2) | 77.5 |
| 29 (CH3) | 28.3 |
| 30 (C) | 183 |
