Spektraris NMR
Propindilactone A
Common Name: Propindilactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O13/c1-11-17-19(38-20(11)34)28(37)21-24(3,22(35)25(28,4)36)14(31)8-26-9-27-13(6-5-12(26)18(33)29(21,41-17)42-26)23(2,10-30)39-15(27)7-16(32)40-27/h11-13,15,17-19,21,30,33,36-37H,5-10H2,1-4H3/t11-,12-,13-,15+,17+,18+,19-,21+,23-,24-,25-,26-,27+,28-,29+/m0/s1
InChIKey: InChIKey=QJLSZCHBNGDYBO-CORREPQHSA-N
Formula: C29H36O13
Molecular Weight: 592.589472
Exact Mass: 592.215591
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lei, C., Huang, S.X., Chen, J.J., Pu, J.X., Li, L.M., Xiao, W.L., Liu, J.P., Yang, L.B., Sun, H.D. Helv Chim Acta (2007) 90, 1399-405
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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) | 81.9 |
| 2 (CH2) | 35.2 |
| 3 (C) | 175.4 |
| 4 (C) | 87.2 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 22.6 |
| 8 (CH) | 50.8 |
| 9 (C) | 83.3 |
| 10 (C) | 97.2 |
| 11 (CH2) | 57.7 |
| 12 (C) | 206.3 |
| 13 (C) | 64.8 |
| 14 (CH) | 76.7 |
| 15 (C) | 103.1 |
| 16 (CH) | 56.4 |
| 17 (C) | 219.7 |
| 18 (CH3) | 23.6 |
| 19 (CH2) | 43 |
| 20 (C) | 81.3 |
| 21 (CH3) | 20.3 |
| 22 (C) | 76.5 |
| 23 (CH) | 77 |
| 24 (CH) | 74.1 |
| 25 (CH) | 43 |
| 26 (C) | 178.1 |
| 27 (CH3) | 8.5 |
| 28 (CH3) | 17.2 |
| 29 (CH2) | 67.5 |
