Spektraris NMR
Heteroclic acid
Common Name: Heteroclic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-19(27(35)36)8-9-23(37-21(3)33)20(2)22-12-14-30(7)25-11-10-24-28(4,5)26(34)13-15-31(24)18-32(25,31)17-16-29(22,30)6/h8,20,22-25H,9-18H2,1-7H3,(H,35,36)/b19-8+/t20-,22-,23+,24-,25-,29+,30-,31+,32-/m0/s1
InChIKey: InChIKey=MKKFLSRJYVTGTF-UFWVSRLISA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, W., Liu, J., Han, J., Xu, Z., Liu, R., Liu, P., Ma, X., Guan, S., Guo, D. Planta Med (2006) 72, 450-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 33.39 |
| 2 (CH2) | 37.42 |
| 3 (C) | 216.64 |
| 4 (C) | 50.2 |
| 5 (CH) | 48.34 |
| 6 (CH2) | 21.42 |
| 7 (CH2) | 25.84 |
| 8 (CH) | 47.79 |
| 9 (C) | 20.93 |
| 10 (C) | 25.92 |
| 11 (CH2) | 26.84 |
| 12 (CH2) | 35.53 |
| 13 (C) | 45.79 |
| 14 (C) | 48.34 |
| 15 (CH2) | 32.7 |
| 16 (CH2) | 26.55 |
| 17 (CH) | 49.16 |
| 18 (CH3) | 19.29 |
| 19 (CH2) | 29.51 |
| 20 (CH) | 39.31 |
| 21 (CH3) | 12.64 |
| 22 (CH) | 75.53 |
| 23 (CH2) | 27.5 |
| 24 (CH) | 140.95 |
| 25 (C) | 128.76 |
| 26 (C) | 172.66 |
| 27 (CH3) | 12.18 |
| 28 (CH3) | 20.72 |
| 29 (CH3) | 22.13 |
| 30 (CH3) | 18 |
| 22a (C) | 170.53 |
| 22b (CH3) | 21.28 |
