Spektraris NMR
Austrolactone
Common Name: Austrolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O8/c1-14-12-30(38-24(14)35)13-27(5,36)17-11-19(33)29(7)20-15(31)10-16-25(2,3)18(32)8-9-26(16,4)21(20)22(34)23(37-30)28(17,29)6/h11,14,16,18-19,23,32-33,36H,8-10,12-13H2,1-7H3/t14-,16-,18-,19+,23-,26-,27-,28-,29-,30-/m0/s1
InChIKey: InChIKey=SZXITMVEKFHHKF-GAKIQRCLSA-N
Formula: C30H40O8
Molecular Weight: 528.634946
Exact Mass: 528.272318
NMR Solvent: CDCl3
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) | 34.07 |
| 2 (CH2) | 27.43 |
| 3 (CH) | 76.5 |
| 4 (C) | 39.21 |
| 5 (CH) | 50.25 |
| 6 (CH2) | 36.88 |
| 7 (C) | 203.81 |
| 8 (C) | 146.17 |
| 9 (C) | 155.89 |
| 10 (C) | 40.37 |
| 11 (C) | 198.52 |
| 12 (CH) | 79.27 |
| 13 (C) | 54.06 |
| 14 (C) | 50.59 |
| 15 (CH) | 80.14 |
| 16 (CH) | 128.1 |
| 17 (C) | 157.66 |
| 18 (CH3) | 26.01 |
| 19 (CH3) | 20.82 |
| 20 (C) | 71.15 |
| 21 (CH3) | 32.77 |
| 22 (CH2) | 48.58 |
| 23 (C) | 106.84 |
| 24 (CH2) | 44.6 |
| 25 (CH) | 34.07 |
| 26 (C) | 178.73 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 29.61 |
| 29 (CH3) | 15.1 |
| 30 (CH3) | 29.67 |
