Spektraris NMR
Aipolic acid
Common Name: Aipolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-19(33)37-22-18-31(8)24(32(26(34)35)15-9-14-27(2,3)25(22)32)11-10-23-29(6)16-12-20(28(4,5)36)21(29)13-17-30(23,31)7/h20-25,36H,9-18H2,1-8H3,(H,34,35)/t20-,21-,22-,23+,24-,25-,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=GSZJAYURDIFMLN-UXZOYDNVSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Elix J.A., Gaul K.L., Moberg R. Aust J Chem (1989) 42, 1415
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 38.4 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 42.5 |
| 4 (C) | 33.7 |
| 5 (CH) | 57.9 |
| 6 (CH) | 71.5 |
| 7 (CH2) | 40.2 |
| 8 (C) | 42.2 |
| 9 (CH) | 49.2 |
| 10 (C) | 51.2 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 49.9 |
| 14 (C) | 42.2 |
| 15 (CH2) | 34.8 |
| 16 (CH2) | 21.9 |
| 17 (CH) | 53.9 |
| 18 (C) | 44 |
| 19 (CH2) | 41.3 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 50.9 |
| 22 (C) | 73.6 |
| 23 (CH3) | 35.7 |
| 24 (CH3) | 23.5 |
| 25 (C) | 175.5 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 16.7 |
| 28 (CH3) | 16.3 |
| 29 (CH3) | 28.8 |
| 30 (CH3) | 31 |
| 6a (C) | 170 |
| 6b (CH3) | 51 |
