Spektraris NMR
Australic acid
Common Name: Australic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O8/c1-16(2)21-13-26-32(40-26)23(29(21,6)10-9-27(35)36)15-24(34)30(7)22(14-25(31(30,32)8)38-19(5)33)17(3)11-20-12-18(4)28(37)39-20/h11,15,18,20-22,25-26H,1,9-10,12-14H2,2-8H3,(H,35,36)/b17-11-/t18-,20-,21+,22-,25+,26-,29+,30+,31-,32+/m1/s1
InChIKey: InChIKey=SRDJHWNQQRDKHS-IATOPLFBSA-N
Formula: C32H42O8
Molecular Weight: 554.6723
Exact Mass: 554.287968
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Leon, F., Valencia, M., Rivera, A., Nieto, I., Quintana, J., Estevez, F., Bermejo, J. Helv Chim Acta (2003) 86, 3088-95
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 37.13 |
| 2 (CH2) | 30.14 |
| 3 (C) | 175.61 |
| 4 (C) | 145 |
| 5 (CH) | 44.81 |
| 6 (CH2) | 27.03 |
| 7 (CH) | 61.27 |
| 8 (C) | 66.54 |
| 9 (C) | 163 |
| 10 (C) | 43.78 |
| 11 (CH) | 130 |
| 12 (C) | 201.1 |
| 13 (C) | 59.05 |
| 14 (C) | 51.81 |
| 15 (CH) | 71.77 |
| 16 (CH2) | 31.92 |
| 17 (CH) | 44.32 |
| 18 (CH3) | 17.65 |
| 19 (CH3) | 23.01 |
| 20 (C) | 139.9 |
| 21 (CH3) | 19.04 |
| 22 (CH) | 126.3 |
| 23 (CH) | 75.17 |
| 24 (CH2) | 36.78 |
| 25 (CH) | 34.31 |
| 26 (C) | 179 |
| 27 (CH3) | 15.45 |
| 28 (CH2) | 115.21 |
| 29 (CH3) | 23.01 |
| 30 (CH3) | 15.07 |
| 15a (C) | 169.9 |
| 15b (CH3) | 20.69 |
