Spektraris NMR
Propindilactone C
Common Name: Propindilactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O12/c1-12-17-19(37-20(12)33)28(36)21-23(2,22(34)25(28,4)35)7-8-26-10-27-14(6-5-13(26)18(32)29(21,40-17)41-26)24(3,11-30)38-15(27)9-16(31)39-27/h12-15,17,19,21,30,35-36H,5-11H2,1-4H3/t12-,13-,14-,15+,17+,19-,21+,23-,24-,25-,26-,27+,28-,29+/m0/s1
InChIKey: InChIKey=POMDJNGBLRPZKM-FWUWEFNXSA-N
Formula: C29H36O12
Molecular Weight: 576.590067
Exact Mass: 576.220677
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) | 81.8 |
| 2 (CH2) | 35.2 |
| 3 (C) | 175.4 |
| 4 (C) | 87 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 26.9 |
| 7 (CH2) | 24.1 |
| 8 (CH) | 52.1 |
| 9 (C) | 83.8 |
| 10 (C) | 96.4 |
| 11 (CH2) | 41.6 |
| 12 (CH2) | 32.6 |
| 13 (C) | 49.4 |
| 14 (C) | 210 |
| 15 (C) | 99.7 |
| 16 (CH) | 54.1 |
| 17 (C) | 220.8 |
| 18 (CH3) | 31 |
| 19 (CH2) | 42.6 |
| 20 (C) | 80.3 |
| 21 (CH3) | 18.7 |
| 22 (C) | 75.6 |
| 23 (CH) | 76.7 |
| 24 (CH) | 75.2 |
| 25 (CH) | 42.5 |
| 26 (C) | 177.7 |
| 27 (CH3) | 8.2 |
| 28 (CH3) | 17.1 |
| 29 (CH2) | 67.3 |
